Detailed results of CSR4_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1384
# INTRA-RESIDUE RESTRAINTS (I=J) : 0
# SEQUENTIAL RESTRAINTS (I-J)=1 : 220
# BACKBONE-BACKBONE : 92
# BACKBONE-SIDE CHAIN : 72
# SIDE CHAIN-SIDE CHAIN : 56
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 774
# BACKBONE-BACKBONE : 296
# BACKBONE-SIDE CHAIN : 200
# SIDE CHAIN-SIDE CHAIN : 278
# LONG RANGE RESTRAINTS (I-J)>=5 : 390
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1018
# INTER-CHAIN RESTRAINTS : 366
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
PRO 2 0 0.0 0.0 0.0 0.0 0.0
ILE 3 0 0.0 0.0 0.0 0.0 0.0
VAL 4 0 0.0 0.0 0.0 0.0 0.0
SER 5 0 1.0 0.0 1.0 0.0 0.0
LYS 6 0 0.0 0.0 0.0 0.0 0.0
TYR 7 0 10.0 0.5 1.5 8.0 5.5
SER 8 0 6.0 1.0 5.0 0.0 0.0
ASN 9 0 4.0 1.0 3.0 0.0 0.0
GLU 10 0 4.0 1.0 3.0 0.0 0.0
ARG 11 0 10.5 0.5 9.5 0.5 0.5
VAL 12 0 14.0 1.0 5.5 7.5 5.0
GLU 13 0 8.0 1.5 6.5 0.0 0.0
LYS 14 0 7.0 1.5 5.5 0.0 0.0
ILE 15 0 19.0 1.0 10.0 8.0 8.0
ILE 16 0 15.0 0.0 6.5 8.5 8.5
GLN 17 0 6.0 0.5 5.5 0.0 0.0
ASP 18 0 10.5 1.0 9.5 0.0 2.5
LEU 19 0 13.0 1.0 10.0 2.0 7.0
LEU 20 0 13.5 1.5 6.5 5.5 5.5
ASP 21 0 11.0 3.0 8.0 0.0 0.0
VAL 22 0 15.5 4.0 10.5 1.0 6.5
LEU 23 0 13.5 2.5 6.0 5.0 4.0
VAL 24 0 6.0 1.0 5.0 0.0 0.0
LYS 25 0 6.5 1.5 5.0 0.0 0.0
GLU 26 0 9.5 2.0 5.0 2.5 2.5
GLU 27 0 3.5 1.5 2.0 0.0 0.0
VAL 28 0 10.5 1.0 6.0 3.5 1.5
THR 29 0 9.0 4.0 4.0 1.0 1.0
PRO 30 0 9.5 3.5 3.0 3.0 3.0
ASP 31 0 4.5 1.0 3.5 0.0 0.0
LEU 32 0 23.0 2.0 13.0 8.0 8.0
ALA 33 0 14.5 2.5 5.5 6.5 3.5
LEU 34 0 13.0 2.5 3.0 7.5 7.5
MET 35 0 14.0 2.0 9.0 3.0 3.0
CYS 36 0 12.5 1.5 5.0 6.0 6.0
LEU 37 0 9.0 0.5 8.5 0.0 2.5
GLY 38 0 10.0 1.0 5.0 4.0 4.5
ASN 39 0 15.0 2.5 8.5 4.0 4.0
ALA 40 0 13.0 3.0 5.5 4.5 5.5
VAL 41 0 23.5 2.5 12.5 8.5 8.0
THR 42 0 9.0 2.0 3.5 3.5 3.5
ASN 43 0 6.5 1.0 3.5 2.0 2.0
ILE 44 0 17.5 0.5 7.5 9.5 9.5
ILE 45 0 24.5 2.0 6.5 16.0 5.0
ALA 46 0 8.5 4.0 3.5 1.0 0.5
GLN 47 0 11.0 3.5 6.5 1.0 1.0
VAL 48 0 14.0 5.0 4.5 4.5 1.0
PRO 49 0 8.5 4.0 4.5 0.0 0.0
GLU 50 0 9.0 1.0 8.0 0.0 0.0
SER 51 0 4.5 2.0 2.5 0.0 0.0
LYS 52 0 10.0 1.5 8.5 0.0 0.0
ARG 53 0 21.5 1.5 11.0 9.0 1.5
VAL 54 0 8.0 3.0 3.5 1.5 1.0
ALA 55 0 7.5 2.5 5.0 0.0 0.0
VAL 56 0 9.5 1.0 5.5 3.0 0.0
VAL 57 0 14.5 1.5 6.0 7.0 3.5
ASP 58 0 9.0 1.5 6.5 1.0 1.0
ASN 59 0 8.0 1.0 7.0 0.0 0.0
PHE 60 0 23.5 2.5 11.0 10.0 11.0
THR 61 0 13.0 3.0 10.0 0.0 4.5
LYS 62 0 9.0 2.0 7.0 0.0 0.0
ALA 63 0 5.0 1.0 4.0 0.0 0.0
LEU 64 0 19.0 0.0 11.0 8.0 12.5
LYS 65 0 8.5 0.0 6.0 2.5 4.5
GLN 66 0 4.0 0.5 3.5 0.0 0.0
SER 67 0 5.0 1.5 3.5 0.0 0.0
VAL 68 0 9.0 1.0 2.0 6.0 6.0
LEU 69 0 3.0 0.0 2.0 1.0 1.0
GLU 70 0 2.5 1.0 1.5 0.0 0.0
HIS 71 0 1.5 1.0 0.0 0.5 0.5
HIS 72 0 0.0 0.0 0.0 0.0 0.0
HIS 73 0 0.0 0.0 0.0 0.0 0.0
HIS 74 0 0.0 0.0 0.0 0.0 0.0
HIS 75 0 0.0 0.0 0.0 0.0 0.0
HIS 76 0 0.0 0.0 0.0 0.0 0.0
MET 1 0 0.0 0.0 0.0 0.0 0.0
PRO 2 0 0.0 0.0 0.0 0.0 0.0
ILE 3 0 0.0 0.0 0.0 0.0 0.0
VAL 4 0 0.0 0.0 0.0 0.0 0.0
SER 5 0 1.0 0.0 1.0 0.0 0.0
LYS 6 0 0.0 0.0 0.0 0.0 0.0
TYR 7 0 10.0 0.5 1.5 8.0 5.5
SER 8 0 6.0 1.0 5.0 0.0 0.0
ASN 9 0 4.0 1.0 3.0 0.0 0.0
GLU 10 0 4.0 1.0 3.0 0.0 0.0
ARG 11 0 10.5 0.5 9.5 0.5 0.5
VAL 12 0 14.0 1.0 5.5 7.5 5.0
GLU 13 0 8.0 1.5 6.5 0.0 0.0
LYS 14 0 7.0 1.5 5.5 0.0 0.0
ILE 15 0 19.0 1.0 10.0 8.0 8.0
ILE 16 0 15.0 0.0 6.5 8.5 8.5
GLN 17 0 6.0 0.5 5.5 0.0 0.0
ASP 18 0 10.5 1.0 9.5 0.0 2.5
LEU 19 0 13.0 1.0 10.0 2.0 7.0
LEU 20 0 13.5 1.5 6.5 5.5 5.5
ASP 21 0 11.0 3.0 8.0 0.0 0.0
VAL 22 0 15.5 4.0 10.5 1.0 6.5
LEU 23 0 13.5 2.5 6.0 5.0 4.0
VAL 24 0 6.0 1.0 5.0 0.0 0.0
LYS 25 0 6.5 1.5 5.0 0.0 0.0
GLU 26 0 9.5 2.0 5.0 2.5 2.5
GLU 27 0 3.5 1.5 2.0 0.0 0.0
VAL 28 0 10.5 1.0 6.0 3.5 1.5
THR 29 0 9.0 4.0 4.0 1.0 1.0
PRO 30 0 9.5 3.5 3.0 3.0 3.0
ASP 31 0 4.5 1.0 3.5 0.0 0.0
LEU 32 0 23.0 2.0 13.0 8.0 8.0
ALA 33 0 14.5 2.5 5.5 6.5 3.5
LEU 34 0 13.0 2.5 3.0 7.5 7.5
MET 35 0 14.0 2.0 9.0 3.0 3.0
CYS 36 0 12.5 1.5 5.0 6.0 6.0
LEU 37 0 9.0 0.5 8.5 0.0 2.5
GLY 38 0 10.0 1.0 5.0 4.0 4.5
ASN 39 0 15.0 2.5 8.5 4.0 4.0
ALA 40 0 13.0 3.0 5.5 4.5 5.5
VAL 41 0 23.5 2.5 12.5 8.5 8.0
THR 42 0 9.0 2.0 3.5 3.5 3.5
ASN 43 0 6.5 1.0 3.5 2.0 2.0
ILE 44 0 17.5 0.5 7.5 9.5 9.5
ILE 45 0 24.5 2.0 6.5 16.0 5.0
ALA 46 0 8.5 4.0 3.5 1.0 0.5
GLN 47 0 11.0 3.5 6.5 1.0 1.0
VAL 48 0 14.0 5.0 4.5 4.5 1.0
PRO 49 0 8.5 4.0 4.5 0.0 0.0
GLU 50 0 9.0 1.0 8.0 0.0 0.0
SER 51 0 4.5 2.0 2.5 0.0 0.0
LYS 52 0 10.0 1.5 8.5 0.0 0.0
ARG 53 0 21.5 1.5 11.0 9.0 1.5
VAL 54 0 8.0 3.0 3.5 1.5 1.0
ALA 55 0 7.5 2.5 5.0 0.0 0.0
VAL 56 0 9.5 1.0 5.5 3.0 0.0
VAL 57 0 14.5 1.5 6.0 7.0 3.5
ASP 58 0 9.0 1.5 6.5 1.0 1.0
ASN 59 0 8.0 1.0 7.0 0.0 0.0
PHE 60 0 23.5 2.5 11.0 10.0 11.0
THR 61 0 13.0 3.0 10.0 0.0 4.5
LYS 62 0 9.0 2.0 7.0 0.0 0.0
ALA 63 0 5.0 1.0 4.0 0.0 0.0
LEU 64 0 19.0 0.0 11.0 8.0 12.5
LYS 65 0 8.5 0.0 6.0 2.5 4.5
GLN 66 0 4.0 0.5 3.5 0.0 0.0
SER 67 0 5.0 1.5 3.5 0.0 0.0
VAL 68 0 9.0 1.0 2.0 6.0 6.0
LEU 69 0 3.0 0.0 2.0 1.0 1.0
GLU 70 0 2.5 1.0 1.5 0.0 0.0
HIS 71 0 1.5 1.0 0.0 0.5 0.5
HIS 72 0 0.0 0.0 0.0 0.0 0.0
HIS 73 0 0.0 0.0 0.0 0.0 0.0
HIS 74 0 0.0 0.0 0.0 0.0 0.0
HIS 75 0 0.0 0.0 0.0 0.0 0.0
HIS 76 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 0 1384.0 220.0 774.0 390.0 366.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1384.0
List of conformationally-resticting NOE constraints
assign ((segid A and resid 13 and name HN )) ((segid A and resid 9 and name C )) 2.90 0.00 0.50
assign ((segid B and resid 13 and name HN )) ((segid B and resid 9 and name C )) 2.90 0.00 0.50
assign ((segid A and resid 7 and name HB# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 29 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 29 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HE )) ((segid B and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HN )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 35 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG2# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG2# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 26 and name HG1 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 26 and name HG2 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG1# )) ((segid B and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG1# )) ((segid B and resid 26 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 36 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 36 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG11 )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG11 )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG12 )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG12 )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG1# )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HB# )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HB# )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HN )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HB# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HN )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 43 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 43 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 44 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 47 and name HE2# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid B and resid 44 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HB# )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HB# )) ((segid B and resid 48 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG# )) ((segid B and resid 47 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG# )) ((segid B and resid 48 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid B and resid 44 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid B and resid 44 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HN )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD1# )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HN )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD1# )) ((segid B and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 41 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 45 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 45 and name HG11 )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 45 and name HG12 )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HG )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD2# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA1 )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA2 )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid B and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HN )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HB )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid B and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HB )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 64 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 68 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HN )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HB )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HB# )) ((segid B and resid 71 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HB# )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HD# )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HG# )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG2# )) ((segid B and resid 69 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG2# )) ((segid B and resid 69 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HB )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HB )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HB )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG1# )) ((segid B and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((segid B and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid B and resid 65 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid B and resid 65 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HB# )) ((segid B and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HD# )) ((segid B and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HD# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HD# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HE# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HE# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HZ )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HZ )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 65 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 65 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 65 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 29 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 29 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HE )) ((segid A and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HN )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 35 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG2# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG2# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 26 and name HG1 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 26 and name HG2 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG1# )) ((segid A and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG1# )) ((segid A and resid 26 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 36 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 36 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG11 )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG11 )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG12 )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG12 )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG1# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HB# )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HB# )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HN )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HB# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HN )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 43 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 43 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 44 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 47 and name HE2# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid A and resid 44 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HB# )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HB# )) ((segid A and resid 48 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG# )) ((segid A and resid 47 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG# )) ((segid A and resid 48 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid A and resid 44 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid A and resid 44 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD1# )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HN )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD1# )) ((segid A and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 41 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 45 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 45 and name HG11 )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 45 and name HG12 )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HG )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD2# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA1 )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA2 )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid A and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HN )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HB )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid A and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HB )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 64 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 68 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HN )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HB )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HB# )) ((segid A and resid 71 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HB# )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HD# )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HG# )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG2# )) ((segid A and resid 69 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG2# )) ((segid A and resid 69 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HB )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HB )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HB )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG1# )) ((segid A and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((segid A and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid A and resid 65 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid A and resid 65 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HB# )) ((segid A and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HD# )) ((segid A and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HD# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HD# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HE# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HE# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HZ )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HZ )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 65 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 65 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 65 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 5 and name HA )) ((segid A and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 5 and name HB# )) ((segid A and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HA )) ((segid A and resid 8 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 7 and name HB1 )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB2 )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB# )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid A and resid 11 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HA )) ((segid A and resid 9 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 11 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 11 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HN )) ((segid A and resid 10 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 9 and name HN )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HA )) ((segid A and resid 13 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HA )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HA )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HN )) ((segid A and resid 11 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 10 and name HN )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HN )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HA )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HD# )) ((segid A and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid A and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid A and resid 15 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HH# )) ((segid A and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid A and resid 13 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HN )) ((segid A and resid 13 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 12 and name HN )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 16 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 16 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HG# )) ((segid A and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HN )) ((segid A and resid 14 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 13 and name HN )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HN )) ((segid A and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HA )) ((segid A and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HG# )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HN )) ((segid A and resid 15 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HN )) ((segid A and resid 15 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 14 and name HN )) ((segid A and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HN )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG1# )) ((segid A and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid A and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid A and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid A and resid 19 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HN )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid A and resid 20 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid A and resid 20 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid A and resid 20 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HE2# )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HE22 )) ((segid A and resid 20 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HE22 )) ((segid A and resid 20 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HG# )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HN )) ((segid A and resid 18 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 17 and name HN )) ((segid A and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HN )) ((segid A and resid 19 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 18 and name HN )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HN )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HN )) ((segid A and resid 20 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HN )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HN )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HA )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HN )) ((segid A and resid 21 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HN )) ((segid A and resid 21 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 20 and name HN )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HB# )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HB# )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 21 and name HN )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HA )) ((segid A and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HA )) ((segid A and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HB )) ((segid A and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 23 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 23 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 22 and name HN )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HB# )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HN )) ((segid A and resid 24 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 23 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HA )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HG1# )) ((segid A and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HG1# )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HG1# )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HA )) ((segid A and resid 27 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HB# )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HN )) ((segid A and resid 26 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 25 and name HN )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HA )) ((segid A and resid 27 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 26 and name HB# )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HG2 )) ((segid A and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HG# )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HN )) ((segid A and resid 27 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 27 and name HN )) ((segid A and resid 28 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 28 and name HA )) ((segid A and resid 29 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG1# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG1# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG1# )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG1# )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG2# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG2# )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HA )) ((segid A and resid 30 and name HD1 )) 1.80 0.00 1.20
assign ((segid A and resid 29 and name HA )) ((segid A and resid 30 and name HD2 )) 1.80 0.00 1.20
assign ((segid A and resid 29 and name HA )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HA )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB )) ((segid A and resid 30 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB )) ((segid A and resid 30 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HG2# )) ((segid A and resid 30 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HG2# )) ((segid A and resid 30 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HG2# )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HN )) ((segid A and resid 30 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HN )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HN )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid A and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HB# )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HB# )) ((segid A and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HB# )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HD# )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HN )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HN )) ((segid A and resid 32 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 31 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 35 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 32 and name HN )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid A and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid A and resid 37 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 33 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HA )) ((segid A and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HA )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HN )) ((segid A and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 35 and name HA )) ((segid A and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HA )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HG1 )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HG2 )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HG# )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HG# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 35 and name HN )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HA )) ((segid A and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HA )) ((segid A and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HA )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HA )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HB# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HN )) ((segid A and resid 37 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 36 and name HN )) ((segid A and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HA )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HA )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HA )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HA )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HB# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HB# )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD2# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA1 )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA1 )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA2 )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA2 )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid A and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 38 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 42 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 39 and name HN )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HN )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HB# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 40 and name HN )) ((segid A and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HG11 )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HG12 )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HN )) ((segid A and resid 42 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HN )) ((segid A and resid 42 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 41 and name HN )) ((segid A and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HN )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HN )) ((segid A and resid 43 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 42 and name HN )) ((segid A and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HA )) ((segid A and resid 46 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HA )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HN )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HE21 )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HD1# )) ((segid A and resid 47 and name HE21 )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HD1# )) ((segid A and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HG2# )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HG2# )) ((segid A and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HG2# )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HN )) ((segid A and resid 45 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 45 and name HA )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HA )) ((segid A and resid 48 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HA )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HB )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 56 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 57 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG1# )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 46 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 46 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HG1 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HG2 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 56 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 56 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HN )) ((segid A and resid 46 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 45 and name HN )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 48 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HB# )) ((segid A and resid 47 and name HE21 )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HB# )) ((segid A and resid 47 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HB# )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HE2# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 47 and name HN )) ((segid A and resid 48 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 47 and name HN )) ((segid A and resid 48 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HD1 )) 1.80 0.00 1.20
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HD2 )) 1.80 0.00 1.20
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HB )) ((segid A and resid 49 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HB )) ((segid A and resid 49 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HB )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 49 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 49 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 52 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG2# )) ((segid A and resid 53 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG2# )) ((segid A and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HN )) ((segid A and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HA )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB1 )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB2 )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 51 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 52 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HD1 )) ((segid A and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HD2 )) ((segid A and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG# )) ((segid A and resid 52 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HG# )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HG# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 50 and name HN )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 53 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 53 and name HH1# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 53 and name HH2# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 52 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 52 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 51 and name HN )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HA )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HA )) ((segid A and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HA )) ((segid A and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HB# )) ((segid A and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HB# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HN )) ((segid A and resid 53 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 52 and name HN )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HB# )) ((segid A and resid 54 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HN )) ((segid A and resid 54 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 53 and name HN )) ((segid A and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HB )) ((segid A and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG1# )) ((segid A and resid 55 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG1# )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HN )) ((segid A and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HN )) ((segid A and resid 55 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 55 and name HA )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid A and resid 58 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid A and resid 58 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HB# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HB# )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HD22 )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HN )) ((segid A and resid 57 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 56 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG1# )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((segid A and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 58 and name HA )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 58 and name HN )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HN )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HA )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HA )) ((segid A and resid 62 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HA )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HB# )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HB# )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HN )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HN )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HN )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HN )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 63 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HD# )) ((segid A and resid 61 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HE# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HN )) ((segid A and resid 61 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 60 and name HN )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HN )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HZ )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HN )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HN )) ((segid A and resid 62 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 61 and name HN )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HN )) ((segid A and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HB# )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HN )) ((segid A and resid 63 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HN )) ((segid A and resid 63 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 63 and name HA )) ((segid A and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HA )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HB# )) ((segid A and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HB# )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HA )) ((segid A and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HB# )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HN )) ((segid A and resid 67 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 67 and name HN )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 67 and name HN )) ((segid A and resid 68 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 70 and name HA )) ((segid A and resid 71 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 70 and name HN )) ((segid A and resid 71 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 5 and name HA )) ((segid B and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 5 and name HB# )) ((segid B and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HA )) ((segid B and resid 8 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 7 and name HB1 )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB2 )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB# )) ((segid B and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid B and resid 11 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HA )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HA )) ((segid B and resid 9 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 8 and name HB# )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HB# )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HB# )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 11 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 11 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HN )) ((segid B and resid 10 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 9 and name HN )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HA )) ((segid B and resid 13 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HA )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HA )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HN )) ((segid B and resid 11 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 10 and name HN )) ((segid B and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HN )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HA )) ((segid B and resid 14 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HA )) ((segid B and resid 14 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HA )) ((segid B and resid 14 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HA )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HA )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HD# )) ((segid B and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid B and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid B and resid 15 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HH# )) ((segid B and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid B and resid 13 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HN )) ((segid B and resid 13 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 12 and name HN )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 16 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 16 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HG# )) ((segid B and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HN )) ((segid B and resid 14 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 13 and name HN )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HN )) ((segid B and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HA )) ((segid B and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HA )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HG# )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HN )) ((segid B and resid 15 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HN )) ((segid B and resid 15 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 14 and name HN )) ((segid B and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HN )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG1# )) ((segid B and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid B and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid B and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid B and resid 19 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HN )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid B and resid 20 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid B and resid 20 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid B and resid 20 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 20 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 20 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HE2# )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HE22 )) ((segid B and resid 20 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HE22 )) ((segid B and resid 20 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HG# )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HN )) ((segid B and resid 18 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 17 and name HN )) ((segid B and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HN )) ((segid B and resid 19 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 18 and name HN )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HN )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HN )) ((segid B and resid 20 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HN )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HN )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HA )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HN )) ((segid B and resid 21 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HN )) ((segid B and resid 21 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 20 and name HN )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HB# )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HB# )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HN )) ((segid B and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HN )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HN )) ((segid B and resid 22 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 21 and name HN )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HA )) ((segid B and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HA )) ((segid B and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HB )) ((segid B and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HN )) ((segid B and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HN )) ((segid B and resid 23 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HN )) ((segid B and resid 23 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 22 and name HN )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HB# )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HN )) ((segid B and resid 24 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 23 and name HN )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HA )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HG1# )) ((segid B and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HG1# )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HG1# )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HA )) ((segid B and resid 27 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HB# )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HN )) ((segid B and resid 26 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 25 and name HN )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HA )) ((segid B and resid 27 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 26 and name HB# )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HG2 )) ((segid B and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HG# )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HN )) ((segid B and resid 27 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 27 and name HN )) ((segid B and resid 28 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 28 and name HA )) ((segid B and resid 29 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB )) ((segid B and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG1# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG1# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG1# )) ((segid B and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG1# )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG2# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG2# )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HA )) ((segid B and resid 30 and name HD1 )) 1.80 0.00 1.20
assign ((segid B and resid 29 and name HA )) ((segid B and resid 30 and name HD2 )) 1.80 0.00 1.20
assign ((segid B and resid 29 and name HA )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HA )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB )) ((segid B and resid 30 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB )) ((segid B and resid 30 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HG2# )) ((segid B and resid 30 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HG2# )) ((segid B and resid 30 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HG2# )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HN )) ((segid B and resid 30 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HN )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HN )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid B and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HB# )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HB# )) ((segid B and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HB# )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HD# )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HN )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HN )) ((segid B and resid 32 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 31 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 35 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 32 and name HN )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid B and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid B and resid 37 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid B and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid B and resid 34 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 33 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid B and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HN )) ((segid B and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 35 and name HA )) ((segid B and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HA )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HA )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HG1 )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HG2 )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HG# )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HG# )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HN )) ((segid B and resid 36 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 35 and name HN )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HB# )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HN )) ((segid B and resid 37 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 36 and name HN )) ((segid B and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HA )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HA )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HA )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HA )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HB# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HB# )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD2# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA1 )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA1 )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA2 )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA2 )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid B and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid B and resid 39 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid B and resid 39 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 38 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 42 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HB# )) ((segid B and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HB# )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HB# )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HN )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 39 and name HN )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HN )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HB# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HN )) ((segid B and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HN )) ((segid B and resid 41 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 40 and name HN )) ((segid B and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HG11 )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HG12 )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HN )) ((segid B and resid 42 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HN )) ((segid B and resid 42 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 41 and name HN )) ((segid B and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HN )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HN )) ((segid B and resid 43 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 42 and name HN )) ((segid B and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HA )) ((segid B and resid 46 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HA )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HN )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HE21 )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HD1# )) ((segid B and resid 47 and name HE21 )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HD1# )) ((segid B and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HG2# )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HG2# )) ((segid B and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HG2# )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HN )) ((segid B and resid 45 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 45 and name HA )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HA )) ((segid B and resid 48 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HA )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HB )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 56 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 57 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG1# )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 46 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 46 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HG1 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HG2 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 56 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 56 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HN )) ((segid B and resid 46 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 45 and name HN )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 48 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HB# )) ((segid B and resid 47 and name HE21 )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HB# )) ((segid B and resid 47 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HB# )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HN )) ((segid B and resid 47 and name HE2# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HN )) ((segid B and resid 47 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HN )) ((segid B and resid 47 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 47 and name HN )) ((segid B and resid 48 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 47 and name HN )) ((segid B and resid 48 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 48 and name HA )) ((segid B and resid 49 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HA )) ((segid B and resid 49 and name HD1 )) 1.80 0.00 1.20
assign ((segid B and resid 48 and name HA )) ((segid B and resid 49 and name HD2 )) 1.80 0.00 1.20
assign ((segid B and resid 48 and name HA )) ((segid B and resid 49 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HB )) ((segid B and resid 49 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HB )) ((segid B and resid 49 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HB )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 49 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 49 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 52 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG2# )) ((segid B and resid 53 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG2# )) ((segid B and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG# )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HN )) ((segid B and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HA )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB1 )) ((segid B and resid 51 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB2 )) ((segid B and resid 51 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB# )) ((segid B and resid 51 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB# )) ((segid B and resid 52 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB# )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HD1 )) ((segid B and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HD2 )) ((segid B and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG# )) ((segid B and resid 52 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HB# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HG# )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HG# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 51 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 51 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 50 and name HN )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 53 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 53 and name HH1# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 53 and name HH2# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 52 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 52 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 51 and name HN )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HA )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HA )) ((segid B and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HA )) ((segid B and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HB# )) ((segid B and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HB# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HG# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HN )) ((segid B and resid 53 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 52 and name HN )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 56 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HB# )) ((segid B and resid 54 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HN )) ((segid B and resid 54 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 53 and name HN )) ((segid B and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HB )) ((segid B and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG1# )) ((segid B and resid 55 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG1# )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HN )) ((segid B and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HN )) ((segid B and resid 55 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 55 and name HA )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid B and resid 58 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid B and resid 58 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HB# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HB# )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 59 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 59 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 59 and name HD22 )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HN )) ((segid B and resid 57 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 56 and name HN )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG1# )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((segid B and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HN )) ((segid B and resid 58 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 58 and name HA )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HN )) ((segid B and resid 59 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 58 and name HN )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HN )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HA )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HA )) ((segid B and resid 62 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HA )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HA )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HB# )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HB# )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HN )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HN )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HN )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HN )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 63 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HB# )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HD# )) ((segid B and resid 61 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HE# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HN )) ((segid B and resid 61 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 60 and name HN )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HN )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HZ )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HN )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HN )) ((segid B and resid 62 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 61 and name HN )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HN )) ((segid B and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HB# )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HN )) ((segid B and resid 63 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HN )) ((segid B and resid 63 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 63 and name HA )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HA )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HB# )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HB# )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HA )) ((segid B and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HB# )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HN )) ((segid B and resid 67 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 67 and name HA )) ((segid B and resid 70 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 67 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 67 and name HN )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 67 and name HN )) ((segid B and resid 68 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 70 and name HA )) ((segid B and resid 71 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 70 and name HN )) ((segid B and resid 71 and name HB# )) 1.80 0.00 3.20
list of removed NOE constraints
66-> LEU A 19 HD1# - CYS B 36 HB# 1.80 5.00 # Duplicated ( 65)
250-> LEU B 19 HD1# - CYS A 36 HB# 1.80 5.00 # Duplicated ( 249)
====== TOTAL ======: 2
table of distance constraints violations
Residual Violations greater than 0.10
4-> TYR A 7 HB* - LEU B 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
7-> TYR A 7 HD* - MET B 35 HE* [ 1.80 5.00] 0.00 0.00 0.00 2.01 0.00 0.00 2.39 0.00 0.00 0.00 1.01 0.00 1.76 2.39 0.00 3.21 0.00 0.52 1.66 0.00 - 8 [ 0.52 .. 3.21]
8-> TYR A 7 HE* - THR B 29 HB [ 1.80 5.00] 0.00 0.00 0.00 3.67 0.70 0.00 3.31 0.00 0.41 0.00 0.00 0.00 2.82 0.13 0.00 0.00 0.30 0.00 0.20 0.00 - 8 [ 0.13 .. 3.67]
9-> TYR A 7 HE* - THR B 29 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.58 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.58]
10-> TYR A 7 HE* - LEU B 32 HA [ 1.80 5.00] 0.00 0.00 0.00 3.53 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 2.93 2.20 0.00 0.32 0.00 0.87 2.19 0.00 - 7 [ 0.32 .. 3.53]
11-> TYR A 7 HE* - LEU B 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.86 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.53 0.71 0.00 0.00 0.00 0.00 0.37 0.00 - 5 [ 0.37 .. 0.86]
12-> TYR A 7 HE* - LEU B 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
13-> TYR A 7 HE* - MET B 35 HE* [ 1.80 5.00] 0.00 0.00 0.15 3.73 0.00 0.00 4.07 1.64 0.00 0.00 2.14 0.00 3.34 3.61 0.17 4.79 0.00 1.12 3.11 0.18 - 12 [ 0.15 .. 4.79]
14-> ARG A 11 HE - VAL B 28 HG1* [ 1.80 5.00] 0.67 1.78 0.16 4.94 4.31 0.14 5.33 5.15 3.26 2.18 2.44 2.22 3.37 1.85 4.29 4.71 3.89 0.00 2.57 3.99 - 19 [ 0.14 .. 5.33]
17-> VAL A 12 HN - LEU B 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.17 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.15 0.36 0.00 0.00 0.00 0.00 0.17 0.00 - 5 [ 0.06 .. 0.36]
21-> VAL A 12 HG1* - MET B 35 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.78 0.00 0.00 0.00 0.00 0.55 0.00 - 3 [ 0.25 .. 0.78]
27-> ILE A 15 HD1* - GLU B 26 HG3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.04 .. 1.04]
28-> ILE A 15 HD1* - GLU B 26 HG2 [ 1.80 5.00] 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 1.97 0.31 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.88 - 6 [ 0.14 .. 1.97]
37-> ILE A 15 HG2* - LEU B 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.37]
47-> ILE A 16 HG13 - CYS B 36 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 - 1 [ 1.04 .. 1.04]
48-> ILE A 16 HG13 - CYS B 36 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 - 1 [ 0.97 .. 0.97]
51-> ILE A 16 HG1* - ASN B 39 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 - 1 [ 1.64 .. 1.64]
76-> LEU A 19 HD2* - CYS B 36 HB* [ 1.80 5.00] 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 0.45]
88-> LEU A 20 HD2* - GLN B 47 HE2* [ 1.80 5.00] 0.30 0.00 1.06 0.04 1.31 0.48 0.96 0.78 1.24 1.01 0.01 0.84 0.18 2.01 0.85 0.00 3.49 0.00 1.45 0.00 - 16 [ 0.01 .. 3.49]
91-> LEU A 23 HD1* - ILE B 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
93-> PRO A 30 HA - ILE B 44 HD1* [ 1.80 5.00] 0.54 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 - 4 [ 0.10 .. 1.24]
95-> PRO A 30 HB* - ILE B 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
96-> PRO A 30 HB* - VAL B 48 HG1* [ 1.80 5.00] 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.33 0.60 0.88 0.00 0.00 0.00 0.00 0.25 0.00 0.27 0.00 1.78 0.00 - 7 [ 0.25 .. 1.97]
97-> PRO A 30 HG* - GLN B 47 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 - 2 [ 0.94 .. 0.96]
98-> PRO A 30 HG* - VAL B 48 HG1* [ 1.80 5.00] 0.00 0.00 0.03 2.85 0.05 0.00 0.00 0.95 1.09 1.65 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 2.75 0.00 - 8 [ 0.03 .. 2.85]
99-> ALA A 33 HA - ILE B 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.64 0.00 - 4 [ 0.50 .. 0.98]
104-> ALA A 33 HN - ILE B 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 - 3 [ 0.01 .. 0.29]
105-> LEU A 34 HD1* - ILE B 44 HG2* [ 1.80 5.00] 0.00 0.00 0.56 0.00 0.00 0.00 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 - 4 [ 0.56 .. 1.68]
106-> LEU A 34 HN - ILE B 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.24 0.00 0.00 0.00 - 2 [ 0.24 .. 0.62]
108-> LEU A 34 HD2* - VAL B 41 HA [ 1.80 5.00] 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 - 2 [ 1.93 .. 2.72]
110-> LEU A 34 HD2* - VAL B 41 HG2* [ 1.80 5.00] 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 - 2 [ 1.02 .. 1.32]
111-> LEU A 34 HD2* - ILE B 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 - 1 [ 1.43 .. 1.43]
112-> LEU A 34 HD2* - ILE B 45 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 - 2 [ 0.35 .. 2.08]
114-> LEU A 34 HD2* - ILE B 45 HG13 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.67 0.00 0.98 0.00 0.00 0.00 0.66 - 4 [ 0.66 .. 1.42]
115-> LEU A 34 HD2* - ILE B 45 HG12 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.26 0.00 0.38 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.38]
116-> LEU A 34 HD2* - PHE B 60 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 - 1 [ 0.14 .. 0.14]
118-> LEU A 34 HD2* - PHE B 60 HE* [ 1.80 5.00] 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
119-> LEU A 34 HG - ILE B 44 HG2* [ 1.80 5.00] 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 - 2 [ 0.53 .. 1.32]
125-> GLY A 38 HA3 - PHE B 60 HZ [ 1.80 5.00] 1.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.95 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 - 5 [ 0.06 .. 1.72]
127-> GLY A 38 HA* - VAL B 41 HG2* [ 1.80 5.00] 1.49 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.53 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 - 5 [ 0.70 .. 1.53]
129-> GLY A 38 HA* - LEU B 64 HD1* [ 1.80 5.00] 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
130-> GLY A 38 HA* - LEU B 64 HG [ 1.80 5.00] 0.00 0.00 0.45 0.00 1.12 0.00 0.16 0.33 0.00 0.15 0.45 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.00 .. 1.12]
131-> GLY A 38 HN - PHE B 60 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 - 2 [ 0.51 .. 0.79]
133-> GLY A 38 HN - PHE B 60 HZ [ 1.80 5.00] 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 1.23]
134-> ASN A 39 HN - PHE B 60 HE* [ 1.80 5.00] 0.52 0.10 0.00 0.28 0.08 0.00 0.00 0.00 0.00 0.07 0.02 0.00 0.21 0.00 0.00 0.26 0.04 0.00 0.53 0.00 - 10 [ 0.02 .. 0.53]
136-> VAL A 41 HG1* - PHE B 60 HE* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.27 0.00 0.00 - 2 [ 0.04 .. 0.27]
137-> VAL A 41 HG1* - PHE B 60 HZ [ 1.80 5.00] 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.07 - 3 [ 0.07 .. 0.29]
143-> VAL A 41 HG2* - LEU B 64 HG [ 1.80 5.00] 0.20 0.91 0.60 0.45 0.49 0.22 0.58 0.54 0.17 0.44 0.45 0.04 0.20 0.02 0.56 0.00 0.21 0.12 0.87 0.07 - 19 [ 0.02 .. 0.91]
144-> THR A 42 HA - LEU B 64 HD2* [ 1.80 5.00] 0.00 0.00 0.03 0.42 0.00 0.00 0.17 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.00 .. 0.42]
145-> THR A 42 HA - VAL B 68 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 - 2 [ 0.79 .. 1.19]
146-> THR A 42 HB - LEU B 64 HD2* [ 1.80 5.00] 0.00 0.00 1.36 1.62 1.31 0.00 1.39 1.44 0.00 1.34 1.20 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.04 0.00 - 9 [ 0.04 .. 1.62]
147-> THR A 42 HG2* - LEU B 64 HA [ 1.80 5.00] 0.00 0.00 0.00 0.25 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.12 0.22 - 6 [ 0.00 .. 0.34]
148-> THR A 42 HG2* - LEU B 64 HD2* [ 1.80 5.00] 0.00 0.00 0.70 0.99 0.68 0.00 0.84 0.83 0.00 0.73 0.70 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.61 .. 0.99]
149-> THR A 42 HG2* - VAL B 68 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.21 - 2 [ 0.16 .. 0.21]
150-> THR A 42 HN - LEU B 64 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
152-> ILE A 45 HD1* - LEU B 64 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.09 0.00 0.00 - 2 [ 0.09 .. 1.65]
153-> ILE A 45 HD1* - LEU B 64 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.15 .. 1.15]
156-> ILE A 45 HG2* - VAL B 68 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 - 2 [ 0.06 .. 0.80]
157-> ALA A 46 HB* - HIS B 71 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.87 0.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.09 .. 1.86]
158-> ARG A 53 HB* - VAL B 68 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 - 2 [ 0.08 .. 0.53]
159-> ARG A 53 HD* - VAL B 68 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 - 2 [ 0.08 .. 0.17]
161-> VAL A 54 HG2* - LEU B 69 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.59 0.00 0.00 0.04 0.00 0.00 1.01 0.37 0.00 0.00 0.00 - 5 [ 0.04 .. 1.01]
162-> VAL A 54 HG2* - LEU B 69 HG [ 1.80 5.00] 0.51 1.26 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.51 .. 1.26]
163-> VAL A 57 HB - LEU B 64 HD2* [ 1.80 5.00] 1.38 0.00 0.00 0.68 0.21 0.19 0.00 0.67 1.03 0.40 1.51 0.54 2.10 0.67 0.18 0.32 1.10 1.02 1.64 1.65 - 17 [ 0.18 .. 2.10]
165-> VAL A 57 HB - VAL B 68 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 1.21 0.00 - 2 [ 0.11 .. 1.21]
167-> VAL A 57 HG2* - LYS B 65 HA [ 1.80 5.00] 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.31 - 3 [ 0.09 .. 0.59]
168-> VAL A 57 HG2* - LYS B 65 HN [ 1.80 5.00] 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.70 1.61 - 5 [ 0.32 .. 1.61]
170-> ASP A 58 HA - LYS B 65 HD* [ 1.80 5.00] 0.00 3.25 0.00 0.00 0.00 1.71 0.00 0.00 1.23 0.00 0.00 0.62 0.71 1.25 0.00 0.00 0.44 0.00 2.91 1.20 - 9 [ 0.44 .. 3.25]
171-> ASP A 58 HA - LYS B 65 HE* [ 1.80 5.00] 0.00 1.63 0.08 0.00 0.00 2.27 0.00 0.23 0.00 0.09 0.00 0.93 1.47 1.76 0.00 0.00 0.95 0.00 3.66 1.82 - 11 [ 0.08 .. 3.66]
172-> PHE A 60 HB* - THR B 61 HG2* [ 1.80 5.00] 0.88 0.63 0.42 0.55 0.50 0.26 1.02 0.51 0.38 0.53 1.02 0.62 0.41 0.54 0.47 0.24 0.48 0.71 0.47 0.71 - 20 [ 0.24 .. 1.02]
173-> PHE A 60 HD* - THR B 61 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
178-> PHE A 60 HZ - LEU B 64 HD1* [ 1.80 5.00] 0.00 0.00 0.26 0.06 0.33 0.00 0.26 0.14 0.00 0.30 0.39 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.06 .. 0.39]
179-> PHE A 60 HZ - LEU B 64 HD2* [ 1.80 5.00] 0.00 0.35 0.00 0.00 0.00 0.33 0.00 0.00 0.30 0.00 0.00 0.41 0.06 0.16 0.00 0.00 0.46 0.00 0.00 0.00 - 7 [ 0.06 .. 0.46]
180-> THR A 61 HA - LEU B 64 HD1* [ 1.80 5.00] 0.00 0.00 1.66 1.69 1.35 0.00 2.06 1.76 0.00 1.87 1.36 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 - 8 [ 1.35 .. 2.06]
181-> THR A 61 HG2* - LEU B 64 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.91 .. 1.91]
183-> THR A 61 HG2* - LYS B 65 HD* [ 1.80 5.00] 0.00 1.03 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 1.06 0.22 - 5 [ 0.22 .. 1.06]
184-> THR A 61 HG2* - LYS B 65 HE* [ 1.80 5.00] 0.00 0.00 0.61 0.47 0.19 1.63 0.04 0.71 0.00 0.61 0.00 1.24 1.34 1.66 0.45 0.00 1.19 0.75 2.35 1.56 - 15 [ 0.04 .. 2.35]
185-> THR A 61 HG2* - LYS B 65 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.28 0.00 0.00 0.00 0.00 0.91 0.23 - 5 [ 0.13 .. 0.91]
186-> THR A 61 HG2* - LYS B 65 HN [ 1.80 5.00] 0.00 0.50 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.50 .. 1.18]
188-> TYR B 7 HB* - LEU A 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
191-> TYR B 7 HD* - MET A 35 HE* [ 1.80 5.00] 0.00 0.00 0.00 2.01 0.00 0.00 2.39 0.00 0.00 0.00 1.01 0.00 1.76 2.39 0.00 3.21 0.00 0.52 1.66 0.00 - 8 [ 0.52 .. 3.21]
192-> TYR B 7 HE* - THR A 29 HB [ 1.80 5.00] 0.00 0.00 0.00 3.67 0.70 0.00 3.31 0.00 0.41 0.00 0.00 0.00 2.82 0.13 0.00 0.00 0.30 0.00 0.20 0.00 - 8 [ 0.13 .. 3.67]
193-> TYR B 7 HE* - THR A 29 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.58 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.58]
194-> TYR B 7 HE* - LEU A 32 HA [ 1.80 5.00] 0.00 0.00 0.00 3.53 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 2.93 2.20 0.00 0.32 0.00 0.87 2.19 0.00 - 7 [ 0.32 .. 3.53]
195-> TYR B 7 HE* - LEU A 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.86 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.53 0.71 0.00 0.00 0.00 0.00 0.37 0.00 - 5 [ 0.37 .. 0.86]
196-> TYR B 7 HE* - LEU A 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
197-> TYR B 7 HE* - MET A 35 HE* [ 1.80 5.00] 0.00 0.00 0.15 3.73 0.00 0.00 4.07 1.64 0.00 0.00 2.14 0.00 3.34 3.61 0.17 4.79 0.00 1.12 3.11 0.18 - 12 [ 0.15 .. 4.79]
198-> ARG B 11 HE - VAL A 28 HG1* [ 1.80 5.00] 0.67 1.78 0.16 4.94 4.31 0.14 5.33 5.15 3.26 2.18 2.44 2.22 3.37 1.85 4.29 4.71 3.89 0.00 2.57 3.99 - 19 [ 0.14 .. 5.33]
201-> VAL B 12 HN - LEU A 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.17 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.15 0.36 0.00 0.00 0.00 0.00 0.17 0.00 - 5 [ 0.06 .. 0.36]
205-> VAL B 12 HG1* - MET A 35 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.78 0.00 0.00 0.00 0.00 0.55 0.00 - 3 [ 0.25 .. 0.78]
211-> ILE B 15 HD1* - GLU A 26 HG3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.04 .. 1.04]
212-> ILE B 15 HD1* - GLU A 26 HG2 [ 1.80 5.00] 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 1.97 0.31 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.88 - 6 [ 0.14 .. 1.97]
221-> ILE B 15 HG2* - LEU A 32 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.37]
231-> ILE B 16 HG13 - CYS A 36 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 - 1 [ 1.04 .. 1.04]
232-> ILE B 16 HG13 - CYS A 36 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 - 1 [ 0.97 .. 0.97]
235-> ILE B 16 HG1* - ASN A 39 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 - 1 [ 1.64 .. 1.64]
260-> LEU B 19 HD2* - CYS A 36 HB* [ 1.80 5.00] 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 0.45]
272-> LEU B 20 HD2* - GLN A 47 HE2* [ 1.80 5.00] 0.29 0.00 1.06 0.04 1.31 0.48 0.96 0.78 1.24 1.01 0.01 0.84 0.18 2.01 0.85 0.00 3.49 0.00 1.45 0.00 - 16 [ 0.01 .. 3.49]
275-> LEU B 23 HD1* - ILE A 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
277-> PRO B 30 HA - ILE A 44 HD1* [ 1.80 5.00] 0.53 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 - 4 [ 0.10 .. 1.24]
279-> PRO B 30 HB* - ILE A 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
280-> PRO B 30 HB* - VAL A 48 HG1* [ 1.80 5.00] 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.33 0.60 0.88 0.00 0.00 0.00 0.00 0.25 0.00 0.27 0.00 1.78 0.00 - 7 [ 0.25 .. 1.97]
281-> PRO B 30 HG* - GLN A 47 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 - 2 [ 0.94 .. 0.96]
282-> PRO B 30 HG* - VAL A 48 HG1* [ 1.80 5.00] 0.00 0.00 0.03 2.85 0.05 0.00 0.00 0.95 1.09 1.65 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 2.75 0.00 - 8 [ 0.03 .. 2.85]
283-> ALA B 33 HA - ILE A 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.64 0.00 - 4 [ 0.50 .. 0.98]
288-> ALA B 33 HN - ILE A 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 - 3 [ 0.01 .. 0.29]
289-> LEU B 34 HD1* - ILE A 44 HG2* [ 1.80 5.00] 0.00 0.00 0.56 0.00 0.00 0.00 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 - 4 [ 0.56 .. 1.68]
290-> LEU B 34 HN - ILE A 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.24 0.00 0.00 0.00 - 2 [ 0.24 .. 0.62]
292-> LEU B 34 HD2* - VAL A 41 HA [ 1.80 5.00] 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 - 2 [ 1.93 .. 2.72]
294-> LEU B 34 HD2* - VAL A 41 HG2* [ 1.80 5.00] 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 - 2 [ 1.02 .. 1.32]
295-> LEU B 34 HD2* - ILE A 44 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 - 1 [ 1.43 .. 1.43]
296-> LEU B 34 HD2* - ILE A 45 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 - 2 [ 0.35 .. 2.08]
298-> LEU B 34 HD2* - ILE A 45 HG13 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.67 0.00 0.99 0.00 0.00 0.00 0.66 - 4 [ 0.66 .. 1.42]
299-> LEU B 34 HD2* - ILE A 45 HG12 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.26 0.00 0.38 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.38]
300-> LEU B 34 HD2* - PHE A 60 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 - 1 [ 0.14 .. 0.14]
302-> LEU B 34 HD2* - PHE A 60 HE* [ 1.80 5.00] 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
303-> LEU B 34 HG - ILE A 44 HG2* [ 1.80 5.00] 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 - 2 [ 0.53 .. 1.32]
309-> GLY B 38 HA3 - PHE A 60 HZ [ 1.80 5.00] 1.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.95 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 - 5 [ 0.06 .. 1.72]
311-> GLY B 38 HA* - VAL A 41 HG2* [ 1.80 5.00] 1.49 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.53 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 - 5 [ 0.71 .. 1.53]
313-> GLY B 38 HA* - LEU A 64 HD1* [ 1.80 5.00] 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
314-> GLY B 38 HA* - LEU A 64 HG [ 1.80 5.00] 0.00 0.00 0.45 0.00 1.12 0.00 0.16 0.33 0.00 0.15 0.45 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.00 .. 1.12]
315-> GLY B 38 HN - PHE A 60 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 - 2 [ 0.51 .. 0.79]
317-> GLY B 38 HN - PHE A 60 HZ [ 1.80 5.00] 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 1.23]
318-> ASN B 39 HN - PHE A 60 HE* [ 1.80 5.00] 0.52 0.10 0.00 0.28 0.08 0.00 0.00 0.00 0.00 0.07 0.02 0.00 0.21 0.00 0.00 0.26 0.04 0.00 0.53 0.00 - 10 [ 0.02 .. 0.53]
320-> VAL B 41 HG1* - PHE A 60 HE* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.27 0.00 0.00 - 2 [ 0.04 .. 0.27]
321-> VAL B 41 HG1* - PHE A 60 HZ [ 1.80 5.00] 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.07 - 3 [ 0.07 .. 0.29]
327-> VAL B 41 HG2* - LEU A 64 HG [ 1.80 5.00] 0.20 0.91 0.59 0.45 0.49 0.22 0.58 0.54 0.17 0.44 0.45 0.04 0.20 0.02 0.56 0.00 0.21 0.12 0.87 0.07 - 19 [ 0.02 .. 0.91]
328-> THR B 42 HA - LEU A 64 HD2* [ 1.80 5.00] 0.00 0.00 0.03 0.42 0.00 0.00 0.18 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.42]
329-> THR B 42 HA - VAL A 68 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 - 2 [ 0.79 .. 1.20]
330-> THR B 42 HB - LEU A 64 HD2* [ 1.80 5.00] 0.00 0.00 1.36 1.62 1.31 0.00 1.39 1.44 0.00 1.34 1.20 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.04 0.00 - 9 [ 0.04 .. 1.62]
331-> THR B 42 HG2* - LEU A 64 HA [ 1.80 5.00] 0.00 0.00 0.00 0.25 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.12 0.22 - 6 [ 0.00 .. 0.34]
332-> THR B 42 HG2* - LEU A 64 HD2* [ 1.80 5.00] 0.00 0.00 0.70 0.99 0.68 0.00 0.85 0.83 0.00 0.73 0.70 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.61 .. 0.99]
333-> THR B 42 HG2* - VAL A 68 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.21 - 2 [ 0.16 .. 0.21]
334-> THR B 42 HN - LEU A 64 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
336-> ILE B 45 HD1* - LEU A 64 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.09 0.00 0.00 - 2 [ 0.09 .. 1.65]
337-> ILE B 45 HD1* - LEU A 64 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.15 .. 1.15]
340-> ILE B 45 HG2* - VAL A 68 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 - 2 [ 0.06 .. 0.80]
341-> ALA B 46 HB* - HIS A 71 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.87 0.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.09 .. 1.86]
342-> ARG B 53 HB* - VAL A 68 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 - 2 [ 0.08 .. 0.53]
343-> ARG B 53 HD* - VAL A 68 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 - 2 [ 0.08 .. 0.17]
345-> VAL B 54 HG2* - LEU A 69 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.59 0.00 0.00 0.04 0.00 0.00 1.01 0.37 0.00 0.00 0.00 - 5 [ 0.04 .. 1.01]
346-> VAL B 54 HG2* - LEU A 69 HG [ 1.80 5.00] 0.52 1.26 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.52 .. 1.26]
347-> VAL B 57 HB - LEU A 64 HD2* [ 1.80 5.00] 1.38 0.00 0.00 0.68 0.21 0.19 0.00 0.67 1.03 0.40 1.51 0.54 2.10 0.67 0.18 0.32 1.10 1.02 1.64 1.65 - 17 [ 0.18 .. 2.10]
349-> VAL B 57 HB - VAL A 68 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 1.21 0.00 - 2 [ 0.11 .. 1.21]
351-> VAL B 57 HG2* - LYS A 65 HA [ 1.80 5.00] 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.31 - 3 [ 0.09 .. 0.59]
352-> VAL B 57 HG2* - LYS A 65 HN [ 1.80 5.00] 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.70 1.61 - 5 [ 0.32 .. 1.61]
354-> ASP B 58 HA - LYS A 65 HD* [ 1.80 5.00] 0.00 3.25 0.00 0.00 0.00 1.71 0.00 0.00 1.23 0.00 0.00 0.62 0.71 1.25 0.00 0.00 0.44 0.00 2.91 1.20 - 9 [ 0.44 .. 3.25]
355-> ASP B 58 HA - LYS A 65 HE* [ 1.80 5.00] 0.00 1.63 0.08 0.00 0.00 2.27 0.00 0.23 0.00 0.09 0.00 0.93 1.47 1.76 0.00 0.00 0.95 0.00 3.66 1.82 - 11 [ 0.08 .. 3.66]
356-> PHE B 60 HB* - THR A 61 HG2* [ 1.80 5.00] 0.88 0.63 0.42 0.55 0.50 0.26 1.02 0.51 0.38 0.53 1.02 0.62 0.41 0.54 0.47 0.24 0.48 0.71 0.47 0.71 - 20 [ 0.24 .. 1.02]
357-> PHE B 60 HD* - THR A 61 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
362-> PHE B 60 HZ - LEU A 64 HD1* [ 1.80 5.00] 0.00 0.00 0.26 0.06 0.33 0.00 0.26 0.14 0.00 0.30 0.39 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.06 .. 0.39]
363-> PHE B 60 HZ - LEU A 64 HD2* [ 1.80 5.00] 0.00 0.35 0.00 0.00 0.00 0.33 0.00 0.00 0.30 0.00 0.00 0.40 0.06 0.16 0.00 0.00 0.46 0.00 0.00 0.00 - 7 [ 0.06 .. 0.46]
364-> THR B 61 HA - LEU A 64 HD1* [ 1.80 5.00] 0.00 0.00 1.66 1.69 1.35 0.00 2.06 1.76 0.00 1.87 1.36 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 - 8 [ 1.35 .. 2.06]
365-> THR B 61 HG2* - LEU A 64 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.91 .. 1.91]
367-> THR B 61 HG2* - LYS A 65 HD* [ 1.80 5.00] 0.00 1.03 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 1.06 0.22 - 5 [ 0.22 .. 1.06]
368-> THR B 61 HG2* - LYS A 65 HE* [ 1.80 5.00] 0.00 0.00 0.61 0.47 0.19 1.64 0.04 0.71 0.00 0.61 0.00 1.24 1.34 1.66 0.45 0.00 1.19 0.75 2.35 1.56 - 15 [ 0.04 .. 2.35]
369-> THR B 61 HG2* - LYS A 65 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.28 0.00 0.00 0.00 0.00 0.91 0.23 - 5 [ 0.13 .. 0.91]
370-> THR B 61 HG2* - LYS A 65 HN [ 1.80 5.00] 0.00 0.50 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.50 .. 1.18]
372-> SER A 5 HB* - TYR A 7 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.22]
376-> TYR A 7 HB* - VAL A 12 HN [ 1.80 5.00] 0.00 0.85 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.85]
377-> TYR A 7 HD* - ARG A 11 HD* [ 1.80 5.00] 0.00 1.30 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 1.30]
379-> TYR A 7 HE* - VAL A 12 HG2* [ 1.80 5.00] 1.08 1.03 0.68 0.72 0.00 0.92 0.44 0.58 0.00 0.73 0.67 1.02 1.24 0.45 0.72 1.31 0.21 0.30 0.19 1.06 - 18 [ 0.19 .. 1.31]
387-> SER A 8 HN - ARG A 11 HG* [ 1.80 5.00] 0.00 0.11 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.54]
390-> SER A 8 HN - VAL A 12 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.30]
408-> ARG A 11 HD* - ILE A 15 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.14 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 - 3 [ 0.10 .. 0.14]
409-> ARG A 11 HG* - ILE A 15 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.28 0.24 0.00 0.35 0.08 0.00 0.00 0.00 0.00 0.17 0.00 0.09 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.08 .. 0.35]
410-> ARG A 11 HG* - ILE A 15 HG2* [ 1.80 5.00] 1.79 0.00 0.00 2.37 2.48 0.00 2.52 2.39 1.43 0.00 1.50 0.00 2.32 0.02 2.33 1.83 2.09 0.00 0.01 2.42 - 14 [ 0.01 .. 2.52]
411-> ARG A 11 HG* - ILE A 15 HN [ 1.80 5.00] 0.66 0.00 0.00 0.77 1.05 0.00 1.03 1.03 0.42 0.00 0.67 0.00 0.73 0.00 0.93 1.24 1.07 0.00 0.00 1.73 - 12 [ 0.42 .. 1.73]
412-> ARG A 11 HH* - ILE A 15 HD1* [ 1.80 5.00] 0.00 0.00 0.00 1.15 1.37 0.00 1.32 1.16 1.15 0.00 0.28 0.00 1.14 0.00 1.06 0.00 1.05 0.00 0.00 1.42 - 10 [ 0.28 .. 1.42]
414-> VAL A 12 HA - ILE A 15 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
431-> LYS A 14 HG* - ASP A 18 HN [ 1.80 5.00] 0.00 0.89 1.06 0.82 0.00 0.00 0.84 1.23 0.00 0.00 0.91 0.79 0.00 0.69 1.22 0.61 0.00 0.72 0.58 1.59 - 13 [ 0.58 .. 1.59]
448-> ILE A 16 HG2* - LEU A 20 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 - 1 [ 0.24 .. 0.24]
454-> GLN A 17 HE2* - ASP A 21 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 - 1 [ 3.14 .. 3.14]
455-> GLN A 17 HE22 - LEU A 20 HB3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.08 0.00 0.00 0.00 0.00 - 1 [ 4.08 .. 4.08]
456-> GLN A 17 HE22 - LEU A 20 HB2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 - 1 [ 3.11 .. 3.11]
457-> GLN A 17 HG* - ASP A 21 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 - 1 [ 0.92 .. 0.92]
472-> LEU A 19 HN - VAL A 22 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.17]
479-> ASP A 21 HA - VAL A 24 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
480-> ASP A 21 HA - VAL A 24 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.41 .. 0.41]
491-> VAL A 22 HA - LYS A 25 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
498-> LEU A 23 HA - LYS A 25 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
502-> LEU A 23 HD1* - ALA A 33 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 - 1 [ 0.83 .. 0.83]
523-> GLU A 26 HG2 - VAL A 28 HG1* [ 1.80 5.00] 1.59 1.56 1.59 0.00 0.00 0.00 0.00 1.62 1.78 1.51 1.95 1.50 0.06 1.56 0.00 2.23 1.58 0.00 1.73 1.76 - 14 [ 0.06 .. 2.23]
524-> GLU A 26 HG* - VAL A 28 HN [ 1.80 5.00] 0.62 0.65 0.57 0.23 0.38 0.22 0.41 0.58 0.61 0.67 0.21 0.77 0.77 0.08 0.49 0.70 0.62 0.37 0.31 0.52 - 20 [ 0.08 .. 0.77]
527-> VAL A 28 HA - THR A 29 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
529-> VAL A 28 HB - LEU A 32 HD1* [ 1.80 5.00] 1.37 1.36 1.22 0.00 0.00 0.00 0.00 1.16 1.17 1.26 1.63 1.36 0.00 1.28 0.00 1.45 1.34 0.00 1.27 1.34 - 13 [ 1.16 .. 1.63]
531-> VAL A 28 HB - LEU A 32 HG [ 1.80 5.00] 0.20 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.47 0.19 0.00 0.02 0.00 0.51 0.10 0.00 0.08 0.10 - 10 [ 0.02 .. 0.51]
537-> VAL A 28 HG2* - ALA A 33 HN [ 1.80 5.00] 0.05 0.10 0.00 0.00 0.00 0.00 0.00 0.09 0.04 0.01 0.41 0.03 0.00 0.11 0.00 0.20 0.18 0.00 0.00 0.20 - 12 [ 0.00 .. 0.41]
551-> THR A 29 HN - LEU A 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.76 0.00 0.00 0.00 0.01 0.00 0.05 - 4 [ 0.01 .. 0.76]
555-> PRO A 30 HB* - LEU A 32 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.34 0.07 0.00 0.00 - 5 [ 0.00 .. 0.34]
557-> PRO A 30 HB* - ALA A 33 HN [ 1.80 5.00] 0.09 0.00 0.25 0.21 0.21 0.09 0.09 0.00 0.01 0.00 0.00 0.06 0.00 0.00 0.28 0.00 0.13 0.00 0.23 0.00 - 12 [ 0.00 .. 0.28]
561-> ASP A 31 HA - MET A 35 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
567-> LEU A 32 HA - MET A 35 HE* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.35 0.00 0.00 1.09 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 - 4 [ 0.35 .. 1.33]
570-> LEU A 32 HD1* - MET A 35 HE* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.33]
577-> LEU A 32 HN - MET A 35 HB* [ 1.80 5.00] 0.04 0.00 0.42 0.00 0.00 0.00 0.00 0.25 0.16 0.00 0.00 0.00 0.06 0.00 0.00 1.13 0.00 0.00 0.00 0.00 - 6 [ 0.04 .. 1.13]
578-> LEU A 32 HN - MET A 35 HE* [ 1.80 5.00] 1.06 0.85 1.70 0.87 1.54 0.82 2.63 2.48 1.23 1.05 3.26 0.70 1.04 0.95 1.31 3.49 1.14 0.00 0.71 1.12 - 19 [ 0.70 .. 3.49]
582-> ALA A 33 HB* - LEU A 34 HG [ 1.80 5.00] 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.06 .. 1.06]
584-> ALA A 33 HN - LEU A 34 HG [ 1.80 5.00] 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.09 .. 2.09]
592-> MET A 35 HA - ASN A 39 HD2* [ 1.80 5.00] 1.20 0.20 0.44 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.72 0.24 0.84 0.05 0.00 0.00 0.02 0.00 0.00 0.12 - 10 [ 0.02 .. 1.20]
593-> MET A 35 HA - ASN A 39 HN [ 1.80 5.00] 0.51 0.44 0.00 0.00 0.08 0.06 0.00 0.00 0.00 0.18 0.15 0.58 0.01 0.00 0.00 0.00 0.36 0.00 0.00 0.00 - 9 [ 0.01 .. 0.58]
594-> MET A 35 HG3 - ASN A 39 HD2* [ 1.80 5.00] 3.33 2.40 2.49 0.73 2.73 1.04 0.00 0.29 0.71 1.04 0.00 2.46 3.03 1.58 0.26 0.47 2.23 0.00 1.11 2.03 - 17 [ 0.26 .. 3.33]
595-> MET A 35 HG2 - ASN A 39 HD2* [ 1.80 5.00] 2.34 1.43 1.39 0.00 2.95 0.11 0.00 0.49 0.00 0.16 1.02 1.60 1.98 0.59 0.00 0.41 1.31 0.00 0.04 0.97 - 15 [ 0.04 .. 2.95]
596-> MET A 35 HG* - CYS A 36 HA [ 1.80 5.00] 0.79 0.82 0.75 0.71 0.94 0.82 0.00 0.86 0.69 0.82 0.00 0.79 0.84 0.79 0.81 0.83 0.82 0.00 0.75 0.77 - 17 [ 0.69 .. 0.94]
597-> MET A 35 HG* - ASN A 39 HN [ 1.80 5.00] 2.18 2.10 1.45 0.77 2.31 1.79 0.00 1.59 1.23 1.94 0.67 2.25 1.76 0.95 1.01 1.98 2.08 0.00 0.82 1.31 - 18 [ 0.67 .. 2.31]
600-> CYS A 36 HA - ASN A 39 HB3 [ 1.80 5.00] 0.88 1.13 0.78 0.00 0.79 0.27 0.09 0.26 0.00 0.32 0.93 0.96 0.91 0.00 0.00 0.71 1.07 0.00 0.00 0.04 - 14 [ 0.04 .. 1.13]
605-> CYS A 36 HB* - ASN A 39 HN [ 1.80 5.00] 0.00 0.00 0.24 0.06 0.15 0.00 0.12 0.22 0.00 0.00 0.01 0.00 0.22 0.02 0.14 0.00 0.00 0.00 0.00 0.05 - 10 [ 0.01 .. 0.24]
615-> GLY A 38 HA3 - VAL A 41 HG2* [ 1.80 5.00] 0.80 0.85 0.08 0.00 0.32 0.49 0.00 0.00 0.00 0.36 0.53 0.79 0.11 0.00 0.00 0.20 0.55 0.00 0.00 0.00 - 11 [ 0.08 .. 0.85]
616-> GLY A 38 HA3 - VAL A 41 HN [ 1.80 5.00] 0.49 0.61 0.00 0.00 0.18 0.44 0.00 0.00 0.00 0.28 0.37 0.58 0.00 0.00 0.00 0.18 0.43 0.00 0.00 0.00 - 9 [ 0.18 .. 0.61]
620-> GLY A 38 HN - ASN A 39 HB* [ 1.80 5.00] 0.07 0.17 0.09 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.05 0.05 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.05 .. 0.17]
628-> ASN A 39 HB* - VAL A 41 HN [ 1.80 5.00] 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.12]
645-> VAL A 41 HG1* - ILE A 45 HG13 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.50 .. 0.50]
653-> VAL A 41 HN - THR A 42 HB [ 1.80 5.00] 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 1.32 0.00 0.00 - 3 [ 1.21 .. 1.32]
665-> ILE A 44 HA - GLN A 47 HE21 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.70 0.00 0.00 0.02 0.00 0.35 0.00 0.00 1.76 0.00 0.00 0.00 - 5 [ 0.02 .. 1.76]
666-> ILE A 44 HA - GLN A 47 HE22 [ 1.80 5.00] 1.10 0.97 1.06 0.00 1.59 0.01 1.11 0.63 0.83 0.38 0.63 1.58 0.00 1.95 0.36 0.00 2.26 0.00 0.57 0.00 - 15 [ 0.01 .. 2.26]
669-> ILE A 44 HD1* - GLN A 47 HE21 [ 1.80 5.00] 2.25 2.12 2.96 0.55 0.47 1.36 2.95 2.50 3.27 1.68 0.00 2.69 0.00 3.15 0.00 0.00 4.44 0.19 1.73 0.00 - 15 [ 0.19 .. 4.44]
670-> ILE A 44 HD1* - GLN A 47 HE22 [ 1.80 5.00] 3.55 3.43 4.22 0.56 1.69 2.52 4.26 3.87 3.14 3.02 0.62 4.02 0.00 4.50 0.63 0.00 5.04 0.00 3.13 0.00 - 16 [ 0.56 .. 5.04]
671-> ILE A 44 HG2* - ALA A 46 HN [ 1.80 5.00] 0.00 0.00 0.31 0.00 0.00 0.00 0.18 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 - 4 [ 0.18 .. 0.48]
672-> ILE A 44 HG2* - GLN A 47 HE22 [ 1.80 5.00] 2.39 2.25 1.79 0.00 2.63 1.54 2.00 1.52 1.92 1.79 1.90 2.77 1.25 2.85 1.72 1.03 2.67 0.00 1.99 0.00 - 17 [ 1.03 .. 2.85]
673-> ILE A 44 HG2* - GLN A 47 HN [ 1.80 5.00] 0.00 0.00 0.07 0.00 0.00 0.00 0.26 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 - 4 [ 0.03 .. 0.46]
678-> ILE A 45 HB - GLN A 47 HN [ 1.80 5.00] 0.01 0.04 0.00 0.00 0.02 0.00 0.00 0.03 0.23 0.03 0.00 0.04 0.00 0.49 0.00 0.00 0.00 0.37 0.00 0.35 - 10 [ 0.01 .. 0.49]
679-> ILE A 45 HD1* - VAL A 56 HB [ 1.80 5.00] 0.68 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 - 5 [ 0.10 .. 1.86]
680-> ILE A 45 HD1* - VAL A 56 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.34 0.01 0.00 0.00 0.71 0.07 0.00 0.00 0.04 0.00 0.00 0.00 0.35 0.00 0.00 2.41 - 7 [ 0.01 .. 2.41]
681-> ILE A 45 HD1* - VAL A 57 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 - 1 [ 0.22 .. 0.22]
682-> ILE A 45 HD1* - VAL A 57 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 1 [ 0.11 .. 0.11]
684-> ILE A 45 HD1* - VAL A 57 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 - 1 [ 0.79 .. 0.79]
685-> ILE A 45 HD1* - PHE A 60 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.57 - 3 [ 0.57 .. 0.77]
686-> ILE A 45 HG1* - VAL A 57 HN [ 1.80 5.00] 0.25 0.05 0.00 0.30 0.00 0.00 0.00 0.16 1.26 0.00 0.23 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.67 2.13 - 9 [ 0.03 .. 2.13]
687-> ILE A 45 HG2* - ALA A 46 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 - 2 [ 0.44 .. 0.57]
688-> ILE A 45 HG2* - ALA A 46 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 - 2 [ 0.15 .. 0.15]
689-> ILE A 45 HG2* - GLN A 47 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 - 2 [ 0.07 .. 0.23]
690-> ILE A 45 HG2* - VAL A 48 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
692-> ILE A 45 HG2* - ARG A 53 HB3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.24 0.00 1.61 - 4 [ 0.01 .. 1.61]
693-> ILE A 45 HG2* - ARG A 53 HB2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 1.38 - 3 [ 0.18 .. 1.38]
694-> ILE A 45 HG2* - ARG A 53 HD3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 - 2 [ 0.19 .. 0.29]
695-> ILE A 45 HG2* - ARG A 53 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 - 2 [ 0.09 .. 1.48]
696-> ILE A 45 HG2* - ARG A 53 HE [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 - 2 [ 0.86 .. 1.03]
699-> ILE A 45 HG2* - VAL A 54 HA [ 1.80 5.00] 0.00 0.00 0.00 0.32 0.00 0.19 0.00 0.41 0.56 0.00 0.26 0.00 0.00 0.01 0.16 0.00 0.00 1.08 0.52 1.00 - 10 [ 0.01 .. 1.08]
700-> ILE A 45 HG2* - VAL A 56 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.50 0.00 0.00 - 2 [ 0.50 .. 0.63]
701-> ILE A 45 HG2* - VAL A 56 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
702-> ILE A 45 HG2* - VAL A 56 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 1.01 0.00 0.75 - 3 [ 0.75 .. 1.20]
707-> ALA A 46 HA - VAL A 48 HG2* [ 1.80 5.00] 0.00 0.13 0.41 0.06 0.00 0.00 0.17 0.31 0.18 0.00 0.26 0.00 0.00 0.23 0.03 0.00 0.00 0.00 0.00 0.35 - 11 [ 0.00 .. 0.41]
709-> ALA A 46 HA - ARG A 53 HE [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
710-> ALA A 46 HB* - GLN A 47 HE21 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 - 1 [ 2.11 .. 2.11]
711-> ALA A 46 HB* - GLN A 47 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
713-> ALA A 46 HN - GLN A 47 HE2* [ 1.80 5.00] 0.00 0.05 0.20 0.16 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 0.00 0.00 0.00 - 5 [ 0.05 .. 2.79]
714-> ALA A 46 HN - GLN A 47 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 - 1 [ 1.20 .. 1.20]
722-> VAL A 48 HB - PRO A 49 HD3 [ 1.80 5.00] 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.10 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.10 .. 0.14]
724-> VAL A 48 HB - ARG A 53 HE [ 1.80 5.00] 0.00 0.00 0.00 1.13 0.00 1.19 0.00 0.00 0.76 0.00 0.00 0.00 0.03 0.00 0.98 0.48 0.00 0.00 1.00 0.00 - 7 [ 0.03 .. 1.19]
736-> PRO A 49 HA - ARG A 53 HE [ 1.80 5.00] 0.53 0.00 0.00 1.44 0.00 0.23 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 1.82 0.00 - 7 [ 0.00 .. 1.82]
740-> PRO A 49 HB* - LYS A 52 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
742-> PRO A 49 HD3 - LYS A 52 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.30 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 - 3 [ 0.30 .. 0.99]
744-> PRO A 49 HG* - LYS A 52 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
749-> GLU A 50 HA - ARG A 53 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.28 0.00 - 4 [ 0.26 .. 0.39]
754-> GLU A 50 HG* - ARG A 53 HE [ 1.80 5.00] 0.61 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.00 0.00 1.00 0.00 0.00 0.00 - 6 [ 0.00 .. 1.29]
755-> GLU A 50 HG* - ARG A 53 HN [ 1.80 5.00] 0.00 0.00 0.00 0.29 0.01 0.15 0.43 0.12 0.00 0.09 0.00 0.20 0.00 0.00 0.00 0.14 0.00 0.31 0.00 0.20 - 10 [ 0.01 .. 0.43]
759-> GLU A 50 HN - ARG A 53 HD* [ 1.80 5.00] 0.59 0.32 0.11 0.00 0.49 0.00 0.47 0.00 0.00 0.57 0.27 0.42 0.01 0.32 0.00 0.00 0.21 0.15 0.04 0.59 - 14 [ 0.01 .. 0.59]
760-> GLU A 50 HN - ARG A 53 HE [ 1.80 5.00] 0.60 0.00 0.00 1.02 0.00 0.85 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.40 0.00 1.05 0.00 - 7 [ 0.40 .. 1.08]
761-> GLU A 50 HN - ARG A 53 HH1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.05 0.00 0.10 0.56 0.00 0.61 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.09 - 6 [ 0.05 .. 0.61]
762-> GLU A 50 HN - ARG A 53 HH2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
764-> SER A 51 HN - LYS A 52 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.40 .. 1.40]
772-> LYS A 52 HG* - VAL A 56 HG2* [ 1.80 5.00] 0.10 0.30 0.40 0.00 0.00 0.00 0.61 0.02 0.00 0.00 0.48 0.39 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 - 8 [ 0.02 .. 0.65]
775-> ARG A 53 HA - VAL A 56 HB [ 1.80 5.00] 1.17 0.77 0.54 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 - 6 [ 0.35 .. 1.17]
778-> ARG A 53 HA - VAL A 57 HN [ 1.80 5.00] 0.19 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.19]
780-> ARG A 53 HN - VAL A 54 HN [ 1.80 2.90] 0.00 0.01 0.01 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.08 0.00 0.08 - 6 [ 0.01 .. 0.13]
785-> VAL A 54 HA - ASP A 58 HN [ 1.80 5.00] 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
786-> VAL A 54 HB - ALA A 55 HB* [ 1.80 5.00] 0.14 0.10 0.39 0.00 0.00 0.00 0.22 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 - 6 [ 0.10 .. 0.39]
787-> VAL A 54 HG1* - ALA A 55 HA [ 1.80 5.00] 0.52 0.40 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.40 .. 0.52]
788-> VAL A 54 HG1* - ASP A 58 HN [ 1.80 5.00] 1.57 0.81 0.08 0.00 0.00 0.00 0.70 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 - 6 [ 0.06 .. 1.57]
792-> ALA A 55 HA - ASP A 58 HB3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 - 2 [ 0.03 .. 0.13]
795-> ALA A 55 HA - ASN A 59 HN [ 1.80 5.00] 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
798-> VAL A 56 HA - ASN A 59 HB3 [ 1.80 5.00] 0.23 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 - 3 [ 0.02 .. 0.26]
800-> VAL A 56 HA - ASN A 59 HD22 [ 1.80 5.00] 0.25 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.01 0.52 0.00 0.00 - 5 [ 0.01 .. 0.52]
812-> VAL A 57 HG2* - THR A 61 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.39 0.00 0.00 0.00 0.46 0.22 0.00 0.00 0.00 0.00 0.46 0.30 - 6 [ 0.22 .. 0.46]
817-> ASP A 58 HB* - LYS A 62 HN [ 1.80 5.00] 0.32 0.23 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.30 0.00 0.48 0.00 0.00 0.00 0.00 - 6 [ 0.16 .. 0.48]
829-> ASN A 59 HN - LYS A 62 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.20]
838-> PHE A 60 HN - LYS A 62 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
842-> THR A 61 HA - LEU A 64 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
845-> THR A 61 HG2* - LEU A 64 HD1* [ 1.80 5.00] 0.00 0.00 0.20 0.22 0.33 0.00 0.89 0.27 0.00 0.23 0.37 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.20 .. 0.89]
849-> THR A 61 HN - LEU A 64 HB* [ 1.80 5.00] 0.00 0.23 0.00 0.00 0.00 0.04 0.00 0.00 0.23 0.00 0.00 0.00 0.01 0.00 0.00 0.17 0.20 0.00 0.00 0.00 - 6 [ 0.01 .. 0.23]
852-> LYS A 62 HA - GLN A 66 HN [ 1.80 5.00] 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
857-> ALA A 63 HA - SER A 67 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
859-> LEU A 64 HA - VAL A 68 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
861-> LEU A 64 HB* - SER A 67 HN [ 1.80 5.00] 0.11 0.00 0.10 0.01 0.12 0.00 0.17 0.08 0.00 0.01 0.07 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 - 10 [ 0.00 .. 0.17]
864-> LYS A 65 HA - VAL A 68 HG2* [ 1.80 5.00] 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 - 2 [ 0.28 .. 0.42]
866-> LYS A 65 HA - LEU A 69 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
869-> GLN A 66 HA - LEU A 69 HD1* [ 1.80 5.00] 0.00 0.34 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.41 0.00 0.00 0.00 0.00 1.34 0.00 - 5 [ 0.21 .. 1.45]
870-> GLN A 66 HA - LEU A 69 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 1 [ 0.11 .. 0.11]
873-> SER A 67 HA - GLU A 70 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 - 2 [ 0.03 .. 0.31]
874-> SER A 67 HA - GLU A 70 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 - 2 [ 0.10 .. 0.67]
875-> SER A 67 HN - VAL A 68 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 - 2 [ 0.79 .. 1.07]
878-> GLU A 70 HN - HIS A 71 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
880-> SER B 5 HB* - TYR B 7 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.22]
884-> TYR B 7 HB* - VAL B 12 HN [ 1.80 5.00] 0.00 0.85 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.85]
885-> TYR B 7 HD* - ARG B 11 HD* [ 1.80 5.00] 0.00 1.30 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.09 .. 1.30]
887-> TYR B 7 HE* - VAL B 12 HG2* [ 1.80 5.00] 1.08 1.03 0.68 0.72 0.00 0.92 0.44 0.58 0.00 0.73 0.67 1.02 1.24 0.45 0.72 1.31 0.21 0.30 0.19 1.07 - 18 [ 0.19 .. 1.31]
895-> SER B 8 HN - ARG B 11 HG* [ 1.80 5.00] 0.00 0.11 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.55]
898-> SER B 8 HN - VAL B 12 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.30]
916-> ARG B 11 HD* - ILE B 15 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.14 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 - 3 [ 0.10 .. 0.14]
917-> ARG B 11 HG* - ILE B 15 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.28 0.24 0.00 0.35 0.08 0.00 0.00 0.00 0.00 0.17 0.00 0.09 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.08 .. 0.35]
918-> ARG B 11 HG* - ILE B 15 HG2* [ 1.80 5.00] 1.79 0.00 0.00 2.37 2.48 0.00 2.51 2.39 1.44 0.00 1.50 0.00 2.32 0.02 2.33 1.83 2.09 0.00 0.01 2.42 - 14 [ 0.01 .. 2.51]
919-> ARG B 11 HG* - ILE B 15 HN [ 1.80 5.00] 0.66 0.00 0.00 0.77 1.05 0.00 1.03 1.03 0.42 0.00 0.67 0.00 0.73 0.00 0.93 1.24 1.07 0.00 0.00 1.72 - 12 [ 0.42 .. 1.72]
920-> ARG B 11 HH* - ILE B 15 HD1* [ 1.80 5.00] 0.00 0.00 0.00 1.15 1.37 0.00 1.31 1.16 1.15 0.00 0.28 0.00 1.14 0.00 1.06 0.00 1.04 0.00 0.00 1.42 - 10 [ 0.28 .. 1.42]
922-> VAL B 12 HA - ILE B 15 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
939-> LYS B 14 HG* - ASP B 18 HN [ 1.80 5.00] 0.00 0.89 1.07 0.82 0.00 0.00 0.84 1.23 0.00 0.00 0.91 0.79 0.00 0.69 1.22 0.61 0.00 0.72 0.57 1.59 - 13 [ 0.57 .. 1.59]
956-> ILE B 16 HG2* - LEU B 20 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 - 1 [ 0.24 .. 0.24]
962-> GLN B 17 HE2* - ASP B 21 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 - 1 [ 3.14 .. 3.14]
963-> GLN B 17 HE22 - LEU B 20 HB3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.07 0.00 0.00 0.00 0.00 - 1 [ 4.07 .. 4.07]
964-> GLN B 17 HE22 - LEU B 20 HB2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 - 1 [ 3.11 .. 3.11]
965-> GLN B 17 HG* - ASP B 21 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 - 1 [ 0.92 .. 0.92]
980-> LEU B 19 HN - VAL B 22 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.17]
987-> ASP B 21 HA - VAL B 24 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
988-> ASP B 21 HA - VAL B 24 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.41 .. 0.41]
999-> VAL B 22 HA - LYS B 25 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
1006-> LEU B 23 HA - LYS B 25 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1010-> LEU B 23 HD1* - ALA B 33 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 - 1 [ 0.83 .. 0.83]
1031-> GLU B 26 HG2 - VAL B 28 HG1* [ 1.80 5.00] 1.59 1.56 1.59 0.00 0.00 0.00 0.00 1.62 1.78 1.51 1.95 1.50 0.06 1.56 0.00 2.23 1.57 0.00 1.73 1.76 - 14 [ 0.06 .. 2.23]
1032-> GLU B 26 HG* - VAL B 28 HN [ 1.80 5.00] 0.62 0.65 0.57 0.23 0.38 0.22 0.41 0.57 0.61 0.67 0.21 0.77 0.77 0.08 0.49 0.70 0.62 0.37 0.31 0.52 - 20 [ 0.08 .. 0.77]
1035-> VAL B 28 HA - THR B 29 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
1037-> VAL B 28 HB - LEU B 32 HD1* [ 1.80 5.00] 1.37 1.36 1.22 0.00 0.00 0.00 0.00 1.16 1.17 1.26 1.63 1.36 0.00 1.28 0.00 1.45 1.34 0.00 1.27 1.34 - 13 [ 1.16 .. 1.63]
1039-> VAL B 28 HB - LEU B 32 HG [ 1.80 5.00] 0.20 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.47 0.19 0.00 0.02 0.00 0.51 0.10 0.00 0.08 0.10 - 10 [ 0.02 .. 0.51]
1045-> VAL B 28 HG2* - ALA B 33 HN [ 1.80 5.00] 0.05 0.10 0.00 0.00 0.00 0.00 0.00 0.09 0.04 0.01 0.41 0.03 0.00 0.11 0.00 0.20 0.18 0.00 0.00 0.20 - 12 [ 0.00 .. 0.41]
1059-> THR B 29 HN - LEU B 32 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.76 0.00 0.00 0.00 0.01 0.00 0.05 - 4 [ 0.01 .. 0.76]
1063-> PRO B 30 HB* - LEU B 32 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.34 0.07 0.00 0.00 - 5 [ 0.00 .. 0.34]
1065-> PRO B 30 HB* - ALA B 33 HN [ 1.80 5.00] 0.09 0.00 0.25 0.21 0.22 0.09 0.09 0.00 0.01 0.00 0.00 0.05 0.00 0.00 0.28 0.00 0.13 0.00 0.23 0.00 - 12 [ 0.00 .. 0.28]
1069-> ASP B 31 HA - MET B 35 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
1075-> LEU B 32 HA - MET B 35 HE* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.35 0.00 0.00 1.09 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 - 4 [ 0.35 .. 1.33]
1078-> LEU B 32 HD1* - MET B 35 HE* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.33]
1085-> LEU B 32 HN - MET B 35 HB* [ 1.80 5.00] 0.04 0.00 0.42 0.00 0.00 0.00 0.00 0.25 0.16 0.00 0.00 0.00 0.07 0.00 0.00 1.13 0.00 0.00 0.00 0.00 - 6 [ 0.04 .. 1.13]
1086-> LEU B 32 HN - MET B 35 HE* [ 1.80 5.00] 1.06 0.84 1.70 0.87 1.54 0.82 2.63 2.48 1.23 1.05 3.26 0.70 1.04 0.95 1.31 3.49 1.14 0.00 0.71 1.12 - 19 [ 0.70 .. 3.49]
1090-> ALA B 33 HB* - LEU B 34 HG [ 1.80 5.00] 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.06 .. 1.06]
1092-> ALA B 33 HN - LEU B 34 HG [ 1.80 5.00] 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.09 .. 2.09]
1100-> MET B 35 HA - ASN B 39 HD2* [ 1.80 5.00] 1.20 0.20 0.44 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.72 0.24 0.84 0.05 0.00 0.00 0.02 0.00 0.00 0.12 - 10 [ 0.02 .. 1.20]
1101-> MET B 35 HA - ASN B 39 HN [ 1.80 5.00] 0.51 0.44 0.00 0.00 0.08 0.06 0.00 0.00 0.00 0.18 0.15 0.58 0.01 0.00 0.00 0.00 0.36 0.00 0.00 0.00 - 9 [ 0.01 .. 0.58]
1102-> MET B 35 HG3 - ASN B 39 HD2* [ 1.80 5.00] 3.33 2.40 2.49 0.73 2.73 1.04 0.00 0.29 0.71 1.04 0.00 2.46 3.03 1.58 0.26 0.47 2.23 0.00 1.11 2.04 - 17 [ 0.26 .. 3.33]
1103-> MET B 35 HG2 - ASN B 39 HD2* [ 1.80 5.00] 2.34 1.43 1.39 0.00 2.95 0.11 0.00 0.49 0.00 0.16 1.01 1.60 1.98 0.59 0.00 0.40 1.31 0.00 0.04 0.97 - 15 [ 0.04 .. 2.95]
1104-> MET B 35 HG* - CYS B 36 HA [ 1.80 5.00] 0.79 0.82 0.75 0.71 0.94 0.82 0.00 0.86 0.69 0.82 0.00 0.79 0.84 0.79 0.81 0.83 0.82 0.00 0.75 0.77 - 17 [ 0.69 .. 0.94]
1105-> MET B 35 HG* - ASN B 39 HN [ 1.80 5.00] 2.17 2.11 1.45 0.77 2.31 1.79 0.00 1.59 1.23 1.94 0.67 2.25 1.77 0.95 1.01 1.98 2.08 0.00 0.82 1.31 - 18 [ 0.67 .. 2.31]
1108-> CYS B 36 HA - ASN B 39 HB3 [ 1.80 5.00] 0.87 1.13 0.78 0.00 0.79 0.27 0.10 0.26 0.00 0.32 0.93 0.96 0.91 0.00 0.00 0.71 1.07 0.00 0.00 0.04 - 14 [ 0.04 .. 1.13]
1113-> CYS B 36 HB* - ASN B 39 HN [ 1.80 5.00] 0.00 0.00 0.24 0.06 0.15 0.00 0.12 0.22 0.00 0.00 0.01 0.00 0.22 0.02 0.14 0.00 0.00 0.00 0.00 0.05 - 10 [ 0.01 .. 0.24]
1123-> GLY B 38 HA3 - VAL B 41 HG2* [ 1.80 5.00] 0.80 0.86 0.08 0.00 0.32 0.49 0.00 0.00 0.00 0.36 0.53 0.79 0.11 0.00 0.00 0.20 0.55 0.00 0.00 0.00 - 11 [ 0.08 .. 0.86]
1124-> GLY B 38 HA3 - VAL B 41 HN [ 1.80 5.00] 0.49 0.61 0.00 0.00 0.18 0.44 0.00 0.00 0.00 0.28 0.37 0.58 0.00 0.00 0.00 0.18 0.42 0.00 0.00 0.00 - 9 [ 0.18 .. 0.61]
1128-> GLY B 38 HN - ASN B 39 HB* [ 1.80 5.00] 0.07 0.17 0.09 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.05 0.05 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.05 .. 0.17]
1136-> ASN B 39 HB* - VAL B 41 HN [ 1.80 5.00] 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.12]
1153-> VAL B 41 HG1* - ILE B 45 HG13 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.50 .. 0.50]
1161-> VAL B 41 HN - THR B 42 HB [ 1.80 5.00] 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 1.32 0.00 0.00 - 3 [ 1.22 .. 1.32]
1173-> ILE B 44 HA - GLN B 47 HE21 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.70 0.00 0.00 0.02 0.00 0.34 0.00 0.00 1.76 0.00 0.00 0.00 - 5 [ 0.02 .. 1.76]
1174-> ILE B 44 HA - GLN B 47 HE22 [ 1.80 5.00] 1.10 0.96 1.06 0.00 1.59 0.01 1.11 0.63 0.83 0.38 0.63 1.58 0.00 1.95 0.36 0.00 2.26 0.00 0.57 0.00 - 15 [ 0.01 .. 2.26]
1177-> ILE B 44 HD1* - GLN B 47 HE21 [ 1.80 5.00] 2.25 2.12 2.96 0.55 0.47 1.36 2.95 2.50 3.27 1.68 0.00 2.70 0.00 3.15 0.00 0.00 4.44 0.19 1.73 0.00 - 15 [ 0.19 .. 4.44]
1178-> ILE B 44 HD1* - GLN B 47 HE22 [ 1.80 5.00] 3.55 3.43 4.22 0.56 1.69 2.52 4.26 3.87 3.14 3.02 0.62 4.02 0.00 4.50 0.63 0.00 5.04 0.00 3.13 0.00 - 16 [ 0.56 .. 5.04]
1179-> ILE B 44 HG2* - ALA B 46 HN [ 1.80 5.00] 0.00 0.00 0.31 0.00 0.00 0.00 0.18 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 - 4 [ 0.18 .. 0.48]
1180-> ILE B 44 HG2* - GLN B 47 HE22 [ 1.80 5.00] 2.39 2.25 1.79 0.00 2.63 1.54 2.00 1.52 1.92 1.79 1.90 2.77 1.25 2.85 1.72 1.03 2.67 0.00 1.99 0.00 - 17 [ 1.03 .. 2.85]
1181-> ILE B 44 HG2* - GLN B 47 HN [ 1.80 5.00] 0.00 0.00 0.07 0.00 0.00 0.00 0.26 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 - 4 [ 0.03 .. 0.47]
1186-> ILE B 45 HB - GLN B 47 HN [ 1.80 5.00] 0.01 0.04 0.00 0.00 0.02 0.00 0.00 0.03 0.23 0.03 0.00 0.04 0.00 0.49 0.00 0.00 0.00 0.37 0.00 0.35 - 10 [ 0.01 .. 0.49]
1187-> ILE B 45 HD1* - VAL B 56 HB [ 1.80 5.00] 0.68 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 - 5 [ 0.10 .. 1.86]
1188-> ILE B 45 HD1* - VAL B 56 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.34 0.01 0.00 0.00 0.71 0.07 0.00 0.00 0.04 0.00 0.00 0.00 0.35 0.00 0.00 2.41 - 7 [ 0.01 .. 2.41]
1189-> ILE B 45 HD1* - VAL B 57 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 - 1 [ 0.22 .. 0.22]
1190-> ILE B 45 HD1* - VAL B 57 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 1 [ 0.11 .. 0.11]
1192-> ILE B 45 HD1* - VAL B 57 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 - 1 [ 0.79 .. 0.79]
1193-> ILE B 45 HD1* - PHE B 60 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.57 - 3 [ 0.57 .. 0.77]
1194-> ILE B 45 HG1* - VAL B 57 HN [ 1.80 5.00] 0.25 0.05 0.00 0.30 0.00 0.00 0.00 0.16 1.26 0.00 0.23 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.67 2.13 - 9 [ 0.03 .. 2.13]
1195-> ILE B 45 HG2* - ALA B 46 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 - 2 [ 0.44 .. 0.57]
1196-> ILE B 45 HG2* - ALA B 46 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 - 2 [ 0.15 .. 0.15]
1197-> ILE B 45 HG2* - GLN B 47 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 - 2 [ 0.07 .. 0.23]
1198-> ILE B 45 HG2* - VAL B 48 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
1200-> ILE B 45 HG2* - ARG B 53 HB3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.24 0.00 1.61 - 4 [ 0.01 .. 1.61]
1201-> ILE B 45 HG2* - ARG B 53 HB2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 1.38 - 3 [ 0.18 .. 1.38]
1202-> ILE B 45 HG2* - ARG B 53 HD3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 - 2 [ 0.19 .. 0.29]
1203-> ILE B 45 HG2* - ARG B 53 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 - 2 [ 0.09 .. 1.48]
1204-> ILE B 45 HG2* - ARG B 53 HE [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 - 2 [ 0.86 .. 1.03]
1207-> ILE B 45 HG2* - VAL B 54 HA [ 1.80 5.00] 0.00 0.00 0.00 0.32 0.00 0.19 0.00 0.41 0.56 0.00 0.26 0.00 0.00 0.01 0.16 0.00 0.00 1.08 0.52 1.00 - 10 [ 0.01 .. 1.08]
1208-> ILE B 45 HG2* - VAL B 56 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.50 0.00 0.00 - 2 [ 0.50 .. 0.63]
1209-> ILE B 45 HG2* - VAL B 56 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
1210-> ILE B 45 HG2* - VAL B 56 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 1.01 0.00 0.75 - 3 [ 0.75 .. 1.20]
1215-> ALA B 46 HA - VAL B 48 HG2* [ 1.80 5.00] 0.00 0.13 0.41 0.06 0.00 0.00 0.17 0.31 0.18 0.00 0.26 0.00 0.00 0.23 0.04 0.00 0.00 0.00 0.00 0.35 - 11 [ 0.00 .. 0.41]
1217-> ALA B 46 HA - ARG B 53 HE [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
1218-> ALA B 46 HB* - GLN B 47 HE21 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 - 1 [ 2.11 .. 2.11]
1219-> ALA B 46 HB* - GLN B 47 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
1221-> ALA B 46 HN - GLN B 47 HE2* [ 1.80 5.00] 0.00 0.05 0.20 0.16 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 0.00 0.00 0.00 - 5 [ 0.05 .. 2.79]
1222-> ALA B 46 HN - GLN B 47 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 - 1 [ 1.20 .. 1.20]
1230-> VAL B 48 HB - PRO B 49 HD3 [ 1.80 5.00] 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.10 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.10 .. 0.14]
1232-> VAL B 48 HB - ARG B 53 HE [ 1.80 5.00] 0.00 0.00 0.00 1.13 0.00 1.19 0.00 0.00 0.76 0.00 0.00 0.00 0.03 0.00 0.98 0.48 0.00 0.00 1.00 0.00 - 7 [ 0.03 .. 1.19]
1244-> PRO B 49 HA - ARG B 53 HE [ 1.80 5.00] 0.53 0.00 0.00 1.44 0.00 0.23 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 1.82 0.00 - 7 [ 0.00 .. 1.82]
1248-> PRO B 49 HB* - LYS B 52 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
1250-> PRO B 49 HD3 - LYS B 52 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.30 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 - 3 [ 0.30 .. 0.99]
1252-> PRO B 49 HG* - LYS B 52 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
1257-> GLU B 50 HA - ARG B 53 HD2 [ 1.80 5.00] 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.28 0.00 - 4 [ 0.26 .. 0.39]
1262-> GLU B 50 HG* - ARG B 53 HE [ 1.80 5.00] 0.61 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.00 0.00 1.00 0.00 0.00 0.00 - 6 [ 0.00 .. 1.29]
1263-> GLU B 50 HG* - ARG B 53 HN [ 1.80 5.00] 0.00 0.00 0.00 0.29 0.01 0.15 0.43 0.12 0.00 0.09 0.00 0.20 0.00 0.00 0.00 0.14 0.00 0.31 0.00 0.20 - 10 [ 0.01 .. 0.43]
1267-> GLU B 50 HN - ARG B 53 HD* [ 1.80 5.00] 0.59 0.32 0.11 0.00 0.49 0.00 0.47 0.00 0.00 0.57 0.27 0.42 0.02 0.32 0.00 0.00 0.21 0.15 0.04 0.59 - 14 [ 0.02 .. 0.59]
1268-> GLU B 50 HN - ARG B 53 HE [ 1.80 5.00] 0.60 0.00 0.00 1.02 0.00 0.85 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.40 0.00 1.05 0.00 - 7 [ 0.40 .. 1.08]
1269-> GLU B 50 HN - ARG B 53 HH1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.05 0.00 0.10 0.56 0.00 0.62 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.09 - 6 [ 0.05 .. 0.62]
1270-> GLU B 50 HN - ARG B 53 HH2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1272-> SER B 51 HN - LYS B 52 HG* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.40 .. 1.40]
1280-> LYS B 52 HG* - VAL B 56 HG2* [ 1.80 5.00] 0.10 0.30 0.40 0.00 0.00 0.00 0.61 0.02 0.00 0.00 0.48 0.39 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 - 8 [ 0.02 .. 0.65]
1283-> ARG B 53 HA - VAL B 56 HB [ 1.80 5.00] 1.17 0.77 0.54 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 - 6 [ 0.35 .. 1.17]
1286-> ARG B 53 HA - VAL B 57 HN [ 1.80 5.00] 0.19 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.19]
1288-> ARG B 53 HN - VAL B 54 HN [ 1.80 2.90] 0.00 0.01 0.01 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.08 0.00 0.08 - 6 [ 0.01 .. 0.13]
1293-> VAL B 54 HA - ASP B 58 HN [ 1.80 5.00] 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1294-> VAL B 54 HB - ALA B 55 HB* [ 1.80 5.00] 0.13 0.10 0.39 0.00 0.00 0.00 0.23 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 - 6 [ 0.10 .. 0.39]
1295-> VAL B 54 HG1* - ALA B 55 HA [ 1.80 5.00] 0.53 0.40 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.40 .. 0.53]
1296-> VAL B 54 HG1* - ASP B 58 HN [ 1.80 5.00] 1.57 0.81 0.08 0.00 0.00 0.00 0.70 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 - 6 [ 0.06 .. 1.57]
1300-> ALA B 55 HA - ASP B 58 HB3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 - 2 [ 0.04 .. 0.13]
1303-> ALA B 55 HA - ASN B 59 HN [ 1.80 5.00] 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
1306-> VAL B 56 HA - ASN B 59 HB3 [ 1.80 5.00] 0.23 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 - 3 [ 0.02 .. 0.26]
1308-> VAL B 56 HA - ASN B 59 HD22 [ 1.80 5.00] 0.25 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.01 0.52 0.00 0.00 - 5 [ 0.01 .. 0.52]
1320-> VAL B 57 HG2* - THR B 61 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.39 0.00 0.00 0.00 0.46 0.22 0.00 0.00 0.00 0.00 0.46 0.30 - 6 [ 0.22 .. 0.46]
1325-> ASP B 58 HB* - LYS B 62 HN [ 1.80 5.00] 0.32 0.23 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.30 0.00 0.48 0.00 0.00 0.00 0.00 - 6 [ 0.16 .. 0.48]
1337-> ASN B 59 HN - LYS B 62 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.20]
1346-> PHE B 60 HN - LYS B 62 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
1350-> THR B 61 HA - LEU B 64 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
1353-> THR B 61 HG2* - LEU B 64 HD1* [ 1.80 5.00] 0.00 0.00 0.20 0.22 0.33 0.00 0.89 0.27 0.00 0.23 0.37 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.20 .. 0.89]
1357-> THR B 61 HN - LEU B 64 HB* [ 1.80 5.00] 0.00 0.23 0.00 0.00 0.00 0.04 0.00 0.00 0.23 0.00 0.00 0.00 0.01 0.00 0.00 0.17 0.20 0.00 0.00 0.00 - 6 [ 0.01 .. 0.23]
1360-> LYS B 62 HA - GLN B 66 HN [ 1.80 5.00] 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.58 .. 0.58]
1365-> ALA B 63 HA - SER B 67 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
1367-> LEU B 64 HA - VAL B 68 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
1369-> LEU B 64 HB* - SER B 67 HN [ 1.80 5.00] 0.11 0.00 0.11 0.01 0.12 0.00 0.17 0.08 0.00 0.01 0.07 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 - 10 [ 0.00 .. 0.17]
1372-> LYS B 65 HA - VAL B 68 HG2* [ 1.80 5.00] 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 - 2 [ 0.28 .. 0.42]
1374-> LYS B 65 HA - LEU B 69 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
1377-> GLN B 66 HA - LEU B 69 HD1* [ 1.80 5.00] 0.00 0.34 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.41 0.00 0.00 0.00 0.00 1.34 0.00 - 5 [ 0.21 .. 1.45]
1378-> GLN B 66 HA - LEU B 69 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 1 [ 0.11 .. 0.11]
1381-> SER B 67 HA - GLU B 70 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 - 2 [ 0.03 .. 0.31]
1382-> SER B 67 HA - GLU B 70 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 - 2 [ 0.10 .. 0.67]
1383-> SER B 67 HN - VAL B 68 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 - 2 [ 0.79 .. 1.07]
1386-> GLU B 70 HN - HIS B 71 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
1391-> ILE A 15 HN - ARG A 11 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.88 - 4 [ 0.05 .. 0.88]
1392-> ILE A 15 N - ARG A 11 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.68 - 4 [ 0.08 .. 0.68]
1397-> ASP A 18 HN - LYS A 14 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.78 - 3 [ 0.08 .. 0.78]
1398-> ASP A 18 N - LYS A 14 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.79 - 3 [ 0.11 .. 0.79]
1405-> VAL A 22 HN - ASP A 18 O [ 1.70 2.30] 0.00 0.00 0.02 0.06 0.05 0.28 0.07 0.11 0.35 0.00 0.76 0.00 0.15 0.04 0.02 0.54 0.00 0.00 0.00 0.00 - 13 [ 0.00 .. 0.76]
1406-> VAL A 22 N - ASP A 18 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.22 0.04 0.07 0.30 0.00 0.38 0.00 0.09 0.00 0.00 0.49 0.00 0.00 0.00 0.00 - 10 [ 0.00 .. 0.49]
1407-> LEU A 23 HN - LEU A 19 O [ 1.70 2.30] 0.21 0.42 0.20 0.20 0.38 0.28 0.25 0.21 0.20 0.12 0.50 0.34 0.38 0.57 0.17 0.00 0.10 0.44 0.19 0.31 - 19 [ 0.10 .. 0.57]
1408-> LEU A 23 N - LEU A 19 O [ 2.70 3.20] 0.21 0.39 0.22 0.20 0.39 0.26 0.24 0.23 0.15 0.13 0.42 0.30 0.39 0.57 0.19 0.00 0.13 0.43 0.21 0.25 - 19 [ 0.13 .. 0.57]
1411-> LYS A 25 HN - ASP A 21 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.68 .. 1.68]
1412-> LYS A 25 N - ASP A 21 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.29 .. 1.29]
1413-> MET A 35 HN - ASP A 31 O [ 1.70 2.30] 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.22 0.05 0.03 0.00 0.00 0.07 0.31 0.00 1.12 0.00 0.00 0.00 0.00 - 7 [ 0.03 .. 1.12]
1414-> MET A 35 N - ASP A 31 O [ 2.70 3.20] 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.18 0.07 0.00 0.00 0.00 0.00 0.30 0.00 1.00 0.00 0.00 0.00 0.00 - 5 [ 0.07 .. 1.00]
1415-> CYS A 36 HN - LEU A 32 O [ 1.70 2.30] 0.05 0.00 0.00 0.00 0.00 0.27 0.00 0.20 0.00 0.12 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.05 .. 0.27]
1416-> CYS A 36 N - LEU A 32 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.12]
1417-> LEU A 37 HN - ALA A 33 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.23 0.00 0.00 - 2 [ 0.23 .. 0.40]
1418-> LEU A 37 N - ALA A 33 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.06 0.00 0.24 0.00 0.00 - 3 [ 0.06 .. 0.37]
1419-> GLY A 38 HN - LEU A 34 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 - 1 [ 1.00 .. 1.00]
1420-> GLY A 38 N - LEU A 34 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.05 0.00 0.00 0.00 - 2 [ 0.05 .. 0.65]
1425-> ASP A 58 HN - VAL A 54 O [ 1.70 2.30] 1.60 0.21 0.19 0.00 0.00 0.00 0.12 0.00 0.00 0.09 0.14 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 - 7 [ 0.09 .. 1.60]
1426-> ASP A 58 N - VAL A 54 O [ 2.70 3.20] 1.47 0.11 0.17 0.00 0.00 0.00 0.11 0.00 0.00 0.06 0.14 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 - 7 [ 0.06 .. 1.47]
1427-> ASN A 59 HN - ALA A 55 O [ 1.70 2.30] 0.97 0.32 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.15 0.34 0.00 0.00 0.00 0.44 0.00 0.36 0.00 0.00 - 8 [ 0.00 .. 0.97]
1428-> ASN A 59 N - ALA A 55 O [ 2.70 3.20] 1.03 0.36 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.18 0.37 0.00 0.04 0.00 0.45 0.00 0.42 0.00 0.00 - 8 [ 0.04 .. 1.03]
1430-> PHE A 60 N - VAL A 56 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.10 - 3 [ 0.01 .. 0.10]
1431-> THR A 61 HN - VAL A 57 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 - 2 [ 0.19 .. 0.31]
1432-> THR A 61 N - VAL A 57 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 - 2 [ 0.22 .. 0.33]
1433-> LYS A 62 HN - ASP A 58 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
1434-> LYS A 62 N - ASP A 58 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
1437-> LEU A 64 HN - PHE A 60 O [ 1.70 2.30] 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.15 .. 0.31]
1438-> LEU A 64 N - PHE A 60 O [ 2.70 3.20] 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.26]
1439-> LYS A 65 HN - THR A 61 O [ 1.70 2.30] 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 - 2 [ 0.30 .. 0.64]
1440-> LYS A 65 N - THR A 61 O [ 2.70 3.20] 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.04 0.00 0.00 0.00 - 3 [ 0.04 .. 0.35]
1441-> GLN A 66 HN - LYS A 62 O [ 1.70 2.30] 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.16 0.00 0.00 0.00 - 3 [ 0.01 .. 1.08]
1442-> GLN A 66 N - LYS A 62 O [ 2.70 3.20] 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.22 0.00 0.00 0.00 - 3 [ 0.03 .. 0.75]
1443-> SER A 67 HN - ALA A 63 O [ 1.70 2.30] 0.19 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.19 .. 0.88]
1444-> SER A 67 N - ALA A 63 O [ 2.70 3.20] 0.22 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 0.74]
1445-> VAL A 68 HN - LEU A 64 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.03 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.50]
1446-> VAL A 68 N - LEU A 64 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.02 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 - 3 [ 0.02 .. 0.29]
1447-> LEU A 69 HN - LYS A 65 O [ 1.70 2.30] 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.11 0.00 0.79 0.00 - 5 [ 0.11 .. 1.54]
1448-> LEU A 69 N - LYS A 65 O [ 2.70 3.20] 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.14 0.00 0.28 0.00 - 6 [ 0.00 .. 1.31]
1453-> ILE B 15 HN - ARG B 11 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.88 - 4 [ 0.05 .. 0.88]
1454-> ILE B 15 N - ARG B 11 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.68 - 4 [ 0.08 .. 0.68]
1459-> ASP B 18 HN - LYS B 14 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.78 - 3 [ 0.08 .. 0.78]
1460-> ASP B 18 N - LYS B 14 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.79 - 3 [ 0.11 .. 0.79]
1467-> VAL B 22 HN - ASP B 18 O [ 1.70 2.30] 0.00 0.00 0.02 0.06 0.05 0.28 0.07 0.11 0.35 0.00 0.76 0.00 0.15 0.04 0.02 0.54 0.00 0.00 0.00 0.00 - 13 [ 0.00 .. 0.76]
1468-> VAL B 22 N - ASP B 18 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.22 0.04 0.07 0.30 0.00 0.38 0.00 0.09 0.00 0.00 0.49 0.00 0.00 0.00 0.00 - 10 [ 0.00 .. 0.49]
1469-> LEU B 23 HN - LEU B 19 O [ 1.70 2.30] 0.21 0.42 0.20 0.20 0.38 0.28 0.25 0.21 0.20 0.12 0.50 0.33 0.38 0.57 0.17 0.00 0.10 0.44 0.18 0.31 - 19 [ 0.10 .. 0.57]
1470-> LEU B 23 N - LEU B 19 O [ 2.70 3.20] 0.21 0.39 0.22 0.20 0.39 0.26 0.24 0.23 0.15 0.13 0.42 0.30 0.39 0.57 0.19 0.00 0.13 0.43 0.21 0.25 - 19 [ 0.13 .. 0.57]
1473-> LYS B 25 HN - ASP B 21 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.68 .. 1.68]
1474-> LYS B 25 N - ASP B 21 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.29 .. 1.29]
1475-> MET B 35 HN - ASP B 31 O [ 1.70 2.30] 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.22 0.05 0.03 0.00 0.00 0.07 0.31 0.00 1.12 0.00 0.00 0.00 0.00 - 7 [ 0.03 .. 1.12]
1476-> MET B 35 N - ASP B 31 O [ 2.70 3.20] 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.18 0.07 0.00 0.00 0.00 0.00 0.30 0.00 1.00 0.00 0.00 0.00 0.00 - 5 [ 0.07 .. 1.00]
1477-> CYS B 36 HN - LEU B 32 O [ 1.70 2.30] 0.05 0.00 0.00 0.00 0.00 0.27 0.00 0.20 0.00 0.12 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.05 .. 0.27]
1478-> CYS B 36 N - LEU B 32 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.12]
1479-> LEU B 37 HN - ALA B 33 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.23 0.00 0.00 - 2 [ 0.23 .. 0.40]
1480-> LEU B 37 N - ALA B 33 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.06 0.00 0.24 0.00 0.00 - 3 [ 0.06 .. 0.37]
1481-> GLY B 38 HN - LEU B 34 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 - 1 [ 1.00 .. 1.00]
1482-> GLY B 38 N - LEU B 34 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.05 0.00 0.00 0.00 - 2 [ 0.05 .. 0.65]
1487-> ASP B 58 HN - VAL B 54 O [ 1.70 2.30] 1.60 0.21 0.19 0.00 0.00 0.00 0.12 0.00 0.00 0.09 0.14 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 - 7 [ 0.09 .. 1.60]
1488-> ASP B 58 N - VAL B 54 O [ 2.70 3.20] 1.47 0.11 0.17 0.00 0.00 0.00 0.11 0.00 0.00 0.06 0.14 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 - 7 [ 0.06 .. 1.47]
1489-> ASN B 59 HN - ALA B 55 O [ 1.70 2.30] 0.97 0.32 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.15 0.34 0.00 0.00 0.00 0.44 0.00 0.36 0.00 0.00 - 8 [ 0.00 .. 0.97]
1490-> ASN B 59 N - ALA B 55 O [ 2.70 3.20] 1.03 0.36 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.18 0.37 0.00 0.04 0.00 0.45 0.00 0.42 0.00 0.00 - 8 [ 0.04 .. 1.03]
1492-> PHE B 60 N - VAL B 56 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.10 - 3 [ 0.01 .. 0.10]
1493-> THR B 61 HN - VAL B 57 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 - 2 [ 0.19 .. 0.31]
1494-> THR B 61 N - VAL B 57 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 - 2 [ 0.22 .. 0.33]
1495-> LYS B 62 HN - ASP B 58 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
1496-> LYS B 62 N - ASP B 58 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
1499-> LEU B 64 HN - PHE B 60 O [ 1.70 2.30] 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.15 .. 0.31]
1500-> LEU B 64 N - PHE B 60 O [ 2.70 3.20] 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.26]
1501-> LYS B 65 HN - THR B 61 O [ 1.70 2.30] 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 - 2 [ 0.30 .. 0.64]
1502-> LYS B 65 N - THR B 61 O [ 2.70 3.20] 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.04 0.00 0.00 0.00 - 3 [ 0.04 .. 0.35]
1503-> GLN B 66 HN - LYS B 62 O [ 1.70 2.30] 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.16 0.00 0.00 0.00 - 3 [ 0.01 .. 1.08]
1504-> GLN B 66 N - LYS B 62 O [ 2.70 3.20] 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.22 0.00 0.00 0.00 - 3 [ 0.02 .. 0.75]
1505-> SER B 67 HN - ALA B 63 O [ 1.70 2.30] 0.19 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.19 .. 0.88]
1506-> SER B 67 N - ALA B 63 O [ 2.70 3.20] 0.22 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 0.74]
1507-> VAL B 68 HN - LEU B 64 O [ 1.70 2.30] 0.00 0.00 0.00 0.00 0.03 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.50]
1508-> VAL B 68 N - LEU B 64 O [ 2.70 3.20] 0.00 0.00 0.00 0.00 0.02 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 - 3 [ 0.02 .. 0.29]
1509-> LEU B 69 HN - LYS B 65 O [ 1.70 2.30] 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.11 0.00 0.79 0.00 - 5 [ 0.11 .. 1.54]
1510-> LEU B 69 N - LYS B 65 O [ 2.70 3.20] 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.14 0.00 0.28 0.00 - 6 [ 0.00 .. 1.31]
-------------------------------------------
Number of Violations greater than 0.10 118 144 92 106 96 82 126 114 136 78 126 90 92 116 80 142 124 64 112 130
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 16 20 15 12 18 14 24 14 18 12 22 12 22 6 16 13 20 12 14 14 15.70
0.2 - 0.5 ang: 20 36 31 30 34 34 42 40 44 20 42 22 20 40 20 49 42 28 18 26 31.90
> 0.5 ang: 82 88 46 64 44 34 60 60 74 46 62 56 50 70 44 80 62 24 80 90 60.80
Total : 138 172 114 124 133 106 148 136 164 110 154 112 130 148 104 154 142 84 136 170 133.95
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 3.548 3.434 4.221 4.944 4.312 2.516 5.326 5.147 3.266 3.023 3.257 4.022 3.370 4.495 4.293 4.787 5.044 1.317 3.659 3.994 5.326
Max Inter Viol : 1.485 3.246 1.664 4.944 4.312 2.271 5.326 5.147 3.264 2.179 2.444 2.222 3.370 3.615 4.293 4.787 3.891 1.125 3.659 3.994 5.326
Max Seque Viol : 1.224 2.086 0.751 0.706 0.939 0.822 0.496 0.859 0.966 0.818 0.371 0.792 1.401 0.791 0.809 1.215 2.790 1.317 0.748 1.070 2.790
Max Medium Viol : 3.548 3.434 4.221 2.368 2.947 2.516 4.261 3.873 3.266 3.023 3.257 4.022 3.033 4.495 2.325 4.075 5.044 0.722 3.133 2.420 5.044
Max Long Viol : 1.080 1.029 0.680 1.131 0.341 1.192 0.445 0.578 1.257 0.729 0.670 1.021 1.239 1.204 0.980 1.305 0.354 1.080 0.998 2.410 2.410
Average Violation : 0.072 0.086 0.050 0.070 0.056 0.038 0.083 0.065 0.072 0.044 0.063 0.056 0.060 0.077 0.045 0.100 0.082 0.021 0.081 0.084 0.06528
Avge Inter Viol : 0.044 0.118 0.044 0.185 0.072 0.047 0.175 0.100 0.082 0.070 0.090 0.059 0.121 0.146 0.079 0.152 0.086 0.033 0.194 0.116 0.10064
Avge Seque Viol : 0.383 0.338 0.254 0.138 0.256 0.154 0.272 0.258 0.276 0.168 0.269 0.272 0.180 0.248 0.152 0.391 0.352 0.049 0.204 0.212 0.24130
Avge Mediu Viol : 0.007 0.011 0.003 0.002 0.003 0.002 0.002 0.003 0.008 0.003 0.001 0.002 0.006 0.002 0.002 0.006 0.018 0.003 0.002 0.006 0.00470
Avge Long Viol : 0.043 0.048 0.014 0.052 0.007 0.051 0.009 0.026 0.133 0.017 0.035 0.025 0.028 0.076 0.039 0.059 0.016 0.069 0.052 0.351 0.05743
RMS Violation : 0.332 0.357 0.284 0.381 0.318 0.217 0.435 0.347 0.316 0.243 0.288 0.307 0.336 0.374 0.264 0.463 0.424 0.121 0.380 0.354 0.33593
RMS Inter : 0.202 0.431 0.206 0.703 0.384 0.257 0.691 0.472 0.340 0.300 0.367 0.263 0.530 0.510 0.405 0.651 0.425 0.158 0.636 0.448 0.44870
RMS Sequential : 0.814 0.704 0.693 0.386 0.667 0.434 0.709 0.670 0.659 0.499 0.584 0.724 0.522 0.708 0.433 0.853 0.902 0.139 0.548 0.528 0.63316
RMS Medium range : 0.076 0.124 0.043 0.036 0.047 0.040 0.027 0.050 0.074 0.043 0.020 0.039 0.081 0.039 0.040 0.074 0.188 0.065 0.037 0.071 0.07128
RMS Long range : 0.188 0.197 0.098 0.204 0.049 0.219 0.064 0.106 0.322 0.106 0.124 0.149 0.179 0.244 0.177 0.235 0.065 0.233 0.192 0.727 0.23926
Final --global-- Summary for 20 models, 1510 NOEs/model, 30200 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 1971.335
Summ sq. viol : 3407.938
Maximum viol : 5.326
Average viol : 0.06528
RMSD viol : 0.33593
Std. Dev. viol : 0.32952
RMS Inter : 0.44870
RMS Seque : 0.63316
RMS Medi : 0.07128
RMS Long : 0.23926
table of dihedral angle constraints violations
29-> [LEU A 23] PHI -90.3 -30.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 11.4]
54-> [ASN A 39] PHI -95.4 -35.4 6.5 19.2 0.0 0.0 0.0 19.3 0.0 0.0 0.0 17.1 6.3 17.9 0.0 0.0 0.0 9.1 17.7 0.0 0.0 0.0 - 8 [ 0.0 .. 19.3]
75-> [VAL A 54] PHI -94.5 -34.5 6.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.9]
76-> [VAL A 54] PSI -82.5 -2.5 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.7]
77-> [ALA A 55] PHI -89.9 -29.9 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.7]
99-> [GLN A 66] PHI -92.9 -32.9 0.0 27.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 27.1]
103-> [VAL A 68] PHI -96.5 -36.5 0.0 24.0 0.0 0.0 0.0 21.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 7.2 0.0 0.0 0.0 0.0 18.5 0.0 - 5 [ 0.0 .. 24.0]
105-> [LEU A 69] PHI -99.6 -39.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.6 0.0 0.0 0.0 0.0 0.0 9.7 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 9.7]
135-> [LEU B 23] PHI -90.3 -30.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 11.5]
160-> [ASN B 39] PHI -95.4 -35.4 6.6 19.2 0.0 0.0 0.0 19.2 0.0 0.0 0.0 17.0 6.3 17.9 0.0 0.0 0.0 9.0 17.7 0.0 0.0 0.0 - 8 [ 0.0 .. 19.2]
181-> [VAL B 54] PHI -94.5 -34.5 6.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.9]
182-> [VAL B 54] PSI -82.5 -2.5 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.7]
183-> [ALA B 55] PHI -89.9 -29.9 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.7]
205-> [GLN B 66] PHI -92.9 -32.9 0.0 27.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 27.2]
209-> [VAL B 68] PHI -96.5 -36.5 0.0 24.0 0.0 0.0 0.0 21.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 7.3 0.0 0.0 0.0 0.0 18.4 0.0 - 5 [ 0.0 .. 24.0]
211-> [LEU B 69] PHI -99.6 -39.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.6 0.0 0.0 0.0 0.0 0.0 9.6 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 9.6]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 8 0 0 0 0 0 0 0 2 0 2 0 0 2 2 2 0 0 0 0 0.90
> 10. degrees : 0 6 0 0 0 4 0 0 0 2 2 2 0 0 0 0 2 0 2 0 1.00
Total : 8 6 0 0 0 4 2 0 2 2 4 2 0 2 2 4 2 0 2 0 2.10
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 6.9 27.2 0.0 0.0 0.0 21.0 0.4 0.0 3.6 17.1 11.5 17.9 0.0 7.3 9.7 9.1 17.7 0.0 18.5 0.0 27.17
Max PHI Viol : 6.9 27.2 0.0 0.0 0.0 21.0 0.4 0.0 3.6 17.1 11.5 17.9 0.0 7.3 9.7 9.1 17.7 0.0 18.5 0.0 27.17
Max PSI Viol : 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.71
Average Violation : 0.2 0.7 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.2 0.2 0.2 0.0 0.1 0.1 0.1 0.2 0.0 0.2 0.0 0.119
Avge PHI Viol : 0.585 1.152 0.000 0.000 0.000 0.872 0.090 0.000 0.260 0.567 0.579 0.581 0.000 0.369 0.427 0.430 0.578 0.000 0.590 0.000 0.484
Avge PSI Viol : 0.298 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.067
RMS Violation : 1.128 3.984 0.000 0.000 0.000 2.767 0.042 0.000 0.347 1.655 1.269 1.736 0.000 0.702 0.940 0.883 1.718 0.000 1.791 0.000 1.425
RMS PHI Viol : 1.459 5.634 0.000 0.000 0.000 3.914 0.060 0.000 0.490 2.341 1.794 2.455 0.000 0.992 1.330 1.249 2.430 0.000 2.533 0.000 2.010
RMS PSI Viol : 0.645 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.144
Final --global-- Summary for 20 models, 212 ACOs/model, 4240 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 505.94
Summ. Sq. Viol. : 8608.07
Max. Viol. : 27.170
Avg. Viol. : 0.11933
RMS Viol. : 1.42485
Std. Dev. Viol. : 1.41985
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET M 1 0.692 0.674 0.520 0.481
PRO M 2 0.990 0.700 0.921 0.869
ILE M 3 0.738 0.688 0.641 0.918
VAL M 4 0.733 0.340 0.394
SER M 5 0.377 0.232 0.128
LYS M 6 0.348 0.747 0.594 0.997 0.999 0.998
TYR M 7 0.111 0.823 0.915 0.825
SER M 8 0.834 0.941 0.651 8
ASN M 9 0.997 0.996 0.938 0.954 9 9
GLU M 10 0.995 0.996 0.571 0.999 1.000 10 10
ARG M 11 0.997 0.995 0.644 0.934 0.731 0.782 1.000 11 11
VAL M 12 0.996 0.998 1.000 12 12
GLU M 13 0.997 0.997 0.598 0.999 1.000 13 13
LYS M 14 0.997 0.995 0.641 0.999 0.996 0.686 14 14
ILE M 15 0.994 0.999 1.000 0.913 15 15
ILE M 16 0.998 0.995 0.918 0.999 16 16
GLN M 17 0.999 0.999 0.938 0.934 0.977 17 17
ASP M 18 1.000 1.000 1.000 1.000 18 18
LEU M 19 0.999 0.999 1.000 1.000 19 19
LEU M 20 0.998 0.997 0.999 1.000 20 20
ASP M 21 0.998 0.994 1.000 1.000 21 21
VAL M 22 0.992 0.999 1.000 22 22
LEU M 23 0.990 0.996 1.000 1.000 23 23
VAL M 24 0.995 0.998 1.000 24 24
LYS M 25 0.997 0.997 0.813 1.000 1.000 1.000 25 25
GLU M 26 0.996 0.983 0.999 0.997 0.997 26 26
GLU M 27 0.997 0.995 1.000 1.000 0.999 27 27
VAL M 28 0.979 0.967 0.539 28 28
THR M 29 0.986 0.989 0.920 29 29
PRO M 30 0.998 0.994 0.982 0.968 30 30
ASP M 31 0.986 0.995 0.998 0.929 31 31
LEU M 32 0.999 0.999 0.999 0.999 32 32
ALA M 33 0.998 0.997 33 33
LEU M 34 0.991 0.995 0.940 0.929 34 34
MET M 35 0.991 0.990 0.818 0.695 0.591 35 35
CYS M 36 0.985 0.994 0.998 36 36
LEU M 37 0.995 0.990 0.999 0.999 37 37
GLY M 38 0.995 0.981 38 38
ASN M 39 0.952 0.999 0.996 0.906 39 39
ALA M 40 0.999 0.997 40 40
VAL M 41 0.998 0.999 1.000 41 41
THR M 42 0.992 0.987 0.779 42 42
ASN M 43 0.994 0.990 0.999 0.961 43 43
ILE M 44 0.981 0.980 0.695 0.537 44 44
ILE M 45 0.992 0.994 0.733 0.945 45 45
ALA M 46 0.994 0.989 46 46
GLN M 47 0.984 0.977 0.929 0.622 0.813 47 47
VAL M 48 0.964 0.982 0.714 48 48
PRO M 49 0.996 0.996 0.954 0.913 49 49
GLU M 50 0.995 0.989 0.537 0.943 0.973 50 50
SER M 51 0.994 0.989 0.835 51 51
LYS M 52 0.971 0.988 0.928 0.857 0.999 1.000 52 52
ARG M 53 0.996 0.986 0.835 0.981 0.464 0.734 1.000 53 53
VAL M 54 0.983 0.975 0.575 54 54
ALA M 55 0.990 0.998 55 55
VAL M 56 0.990 0.987 0.495 56 56
VAL M 57 0.997 0.993 0.721 57 57
ASP M 58 0.997 0.997 0.711 0.839 58 58
ASN M 59 0.999 0.997 1.000 1.000 59 59
PHE M 60 0.999 0.998 0.996 0.989 60 60
THR M 61 0.997 0.996 0.925 61 61
LYS M 62 0.998 0.991 0.817 1.000 0.999 0.999 62 62
ALA M 63 0.999 0.999 63 63
LEU M 64 0.998 0.983 0.558 0.575 64 64
LYS M 65 0.992 0.983 0.713 0.995 0.935 0.993 65 65
GLN M 66 0.967 0.993 0.575 0.429 0.823 66 66
SER M 67 0.989 0.984 0.679 67 67
VAL M 68 0.947 0.982 0.891 68 68
LEU M 69 0.969 0.978 0.751 0.798 69 69
GLU M 70 0.950 0.591 0.749 0.841 0.912
HIS M 71 0.638 0.343 0.441 0.379
HIS M 72 0.519 0.150 0.342 0.202
HIS M 73 0.573 0.378 0.440 0.626
HIS M 74 0.701 0.502 0.395 0.466
HIS M 75 0.674 0.386 0.451 0.579
HIS M 76 0.815 0.425 0.597 0.273
MET M 87 0.333 0.692 0.674 0.520 0.481
PRO M 88 0.990 0.700 0.921 0.869
ILE M 89 0.738 0.688 0.641 0.918
VAL M 90 0.733 0.340 0.394
SER M 91 0.377 0.232 0.128
LYS M 92 0.348 0.747 0.595 0.997 0.999 0.997
TYR M 93 0.111 0.823 0.915 0.825
SER M 94 0.834 0.941 0.651 94
ASN M 95 0.997 0.996 0.938 0.954 95 95
GLU M 96 0.995 0.996 0.570 0.999 1.000 96 96
ARG M 97 0.997 0.995 0.644 0.934 0.731 0.782 1.000 97 97
VAL M 98 0.996 0.998 1.000 98 98
GLU M 99 0.997 0.997 0.598 0.999 1.000 99 99
LYS M 100 0.997 0.995 0.641 0.999 0.996 0.686 100 100
ILE M 101 0.994 0.999 1.000 0.913 101 101
ILE M 102 0.998 0.995 0.918 0.999 102 102
GLN M 103 0.999 0.999 0.938 0.934 0.977 103 103
ASP M 104 1.000 1.000 1.000 1.000 104 104
LEU M 105 0.999 0.999 1.000 1.000 105 105
LEU M 106 0.998 0.997 0.999 1.000 106 106
ASP M 107 0.998 0.994 1.000 1.000 107 107
VAL M 108 0.992 0.999 1.000 108 108
LEU M 109 0.990 0.996 1.000 1.000 109 109
VAL M 110 0.995 0.998 1.000 110 110
LYS M 111 0.997 0.997 0.813 1.000 1.000 1.000 111 111
GLU M 112 0.996 0.983 0.999 0.997 0.997 112 112
GLU M 113 0.997 0.995 1.000 1.000 0.999 113 113
VAL M 114 0.979 0.967 0.539 114 114
THR M 115 0.986 0.989 0.920 115 115
PRO M 116 0.998 0.994 0.982 0.968 116 116
ASP M 117 0.986 0.995 0.998 0.929 117 117
LEU M 118 0.999 0.999 0.999 0.999 118 118
ALA M 119 0.998 0.997 119 119
LEU M 120 0.991 0.995 0.940 0.929 120 120
MET M 121 0.991 0.990 0.818 0.695 0.591 121 121
CYS M 122 0.985 0.994 0.998 122 122
LEU M 123 0.995 0.990 0.999 0.999 123 123
GLY M 124 0.995 0.981 124 124
ASN M 125 0.952 0.999 0.996 0.906 125 125
ALA M 126 0.999 0.997 126 126
VAL M 127 0.998 0.999 1.000 127 127
THR M 128 0.992 0.987 0.779 128 128
ASN M 129 0.994 0.990 0.999 0.961 129 129
ILE M 130 0.981 0.980 0.695 0.537 130 130
ILE M 131 0.992 0.994 0.733 0.945 131 131
ALA M 132 0.994 0.989 132 132
GLN M 133 0.984 0.977 0.929 0.622 0.813 133 133
VAL M 134 0.964 0.982 0.714 134 134
PRO M 135 0.996 0.996 0.954 0.913 135 135
GLU M 136 0.995 0.989 0.537 0.943 0.973 136 136
SER M 137 0.994 0.989 0.836 137 137
LYS M 138 0.971 0.988 0.928 0.857 0.999 1.000 138 138
ARG M 139 0.996 0.986 0.835 0.981 0.464 0.734 1.000 139 139
VAL M 140 0.983 0.975 0.575 140 140
ALA M 141 0.990 0.998 141 141
VAL M 142 0.990 0.987 0.495 142 142
VAL M 143 0.997 0.993 0.721 143 143
ASP M 144 0.997 0.997 0.711 0.839 144 144
ASN M 145 0.999 0.997 1.000 1.000 145 145
PHE M 146 0.999 0.998 0.996 0.989 146 146
THR M 147 0.997 0.996 0.925 147 147
LYS M 148 0.998 0.991 0.817 1.000 0.999 0.999 148 148
ALA M 149 0.999 0.999 149 149
LEU M 150 0.998 0.983 0.558 0.575 150 150
LYS M 151 0.992 0.984 0.713 0.995 0.935 0.993 151 151
GLN M 152 0.967 0.993 0.575 0.429 0.823 152 152
SER M 153 0.989 0.984 0.679 153 153
VAL M 154 0.947 0.982 0.891 154 154
LEU M 155 0.969 0.978 0.751 0.798 155 155
GLU M 156 0.950 0.591 0.749 0.841 0.912
HIS M 157 0.638 0.343 0.441 0.379
HIS M 158 0.519 0.150 0.342 0.202
HIS M 159 0.573 0.378 0.440 0.626
HIS M 160 0.701 0.502 0.395 0.466
HIS M 161 0.674 0.386 0.451 0.579
HIS M 162 0.815 0.597 0.273
JPEG image of S(phi)~Residue_number Plot
JPEG image of S(psi)~Residue_number Plot
Table of Backbone and Heavy Atom RMSD
Text report of backbone and heavy atom RMSD for ordered regions
>
> Kabsch RMSD data for family `CSR4_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 1 is: 0.929
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 2 is: 1.027
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 3 is: 0.407 (*)
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 4 is: 1.488
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 5 is: 0.699
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 6 is: 0.567
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 7 is: 0.889
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 8 is: 0.822
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 9 is: 0.949
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 10 is: 0.711
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 11 is: 1.391
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 12 is: 0.869
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 13 is: 0.517
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 14 is: 0.671
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 15 is: 0.764
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 16 is: 1.394
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 17 is: 0.956
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 18 is: 0.745
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 19 is: 1.375
> Kabsch RMSD of backbone atoms in res. M[9..69],M[95..155],for model 20 is: 0.867
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..69],[95..155], is: 0.902
> Range of RMSD values to reference struct. is 0.407 to 1.488
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 1 is: 1.285
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 2 is: 1.282
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 3 is: 0.696 (*)
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 4 is: 1.721
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 5 is: 0.947
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 6 is: 0.877
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 7 is: 1.265
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 8 is: 1.122
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 9 is: 1.286
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 10 is: 0.951
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 11 is: 1.697
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 12 is: 1.108
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 13 is: 0.946
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 14 is: 0.992
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 15 is: 1.104
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 16 is: 1.678
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 17 is: 1.219
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 18 is: 1.000
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 19 is: 1.684
> Kabsch RMSD of heavy atoms in res. M[9..69],M[95..155],for model 20 is: 1.346
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..69],[95..155], is: 1.210
> Range of RMSD values to reference struct. is 0.696 to 1.721
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..162],for model 1 is: 3.206
> Kabsch RMSD of backb atoms in res. *[1..162],for model 2 is: 3.524
> Kabsch RMSD of backb atoms in res. *[1..162],for model 3 is: 3.239
> Kabsch RMSD of backb atoms in res. *[1..162],for model 4 is: 2.723
> Kabsch RMSD of backb atoms in res. *[1..162],for model 5 is: 3.819
> Kabsch RMSD of backb atoms in res. *[1..162],for model 6 is: 2.411
> Kabsch RMSD of backb atoms in res. *[1..162],for model 7 is: 2.820
> Kabsch RMSD of backb atoms in res. *[1..162],for model 8 is: 4.046
> Kabsch RMSD of backb atoms in res. *[1..162],for model 9 is: 3.974
> Kabsch RMSD of backb atoms in res. *[1..162],for model 10 is: 2.194
> Kabsch RMSD of backb atoms in res. *[1..162],for model 11 is: 2.699
> Kabsch RMSD of backb atoms in res. *[1..162],for model 12 is: 3.223
> Kabsch RMSD of backb atoms in res. *[1..162],for model 13 is: 3.011
> Kabsch RMSD of backb atoms in res. *[1..162],for model 14 is: 2.116 (*)
> Kabsch RMSD of backb atoms in res. *[1..162],for model 15 is: 2.780
> Kabsch RMSD of backb atoms in res. *[1..162],for model 16 is: 3.120
> Kabsch RMSD of backb atoms in res. *[1..162],for model 17 is: 2.443
> Kabsch RMSD of backb atoms in res. *[1..162],for model 18 is: 2.846
> Kabsch RMSD of backb atoms in res. *[1..162],for model 19 is: 3.114
> Kabsch RMSD of backb atoms in res. *[1..162],for model 20 is: 2.637
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..162], is: 2.997
> Range of RMSD values to reference struct. is 2.116 to 4.046
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 1 is: 3.594
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 2 is: 3.878
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 3 is: 3.660
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 4 is: 3.419
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 5 is: 4.404
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 6 is: 2.820
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 7 is: 3.450
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 8 is: 4.359
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 9 is: 4.319
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 10 is: 2.693 (*)
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 11 is: 3.271
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 12 is: 3.443
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 13 is: 3.361
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 14 is: 2.730
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 15 is: 3.109
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 16 is: 3.547
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 17 is: 2.827
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 18 is: 3.262
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 19 is: 3.505
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 20 is: 3.116
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..162], is: 3.438
> Range of RMSD values to reference struct. is 2.693 to 4.404
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 3.0 0.9 0.9
All heavy atoms 3.4 1.2 1.2
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| CSR4_R3_em_bcr3_020.rin 0.0 2480 residues |
| |
| Ramachandran plot: 97.0% core 3.0% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 4 labelled residues (out of2480) |
| Chi1-chi2 plots: 0 labelled residues (out of1480) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
8 -0.46
9 0.95
10 0.80
11 0.95
12 0.86
13 0.90
14 1.00
15 0.84
16 0.85
17 1.13
18 1.22
19 1.06
20 0.47
21 1.11
22 0.82
23 0.67
24 0.42
25 0.97
26 -0.86
27 -2.09
28 -0.71
29 -0.32
30 0.36
31 0.29
32 1.02
33 0.83
34 0.43
35 0.69
36 -0.10
37 0.64
38 0.75
39 -0.11
40 0.88
41 0.88
42 0.73
43 0.89
44 -0.39
45 -0.39
46 0.06
47 0.06
48 -0.52
49 -0.07
50 0.45
51 0.74
52 -1.08
53 0.51
54 0.28
55 0.70
56 0.28
57 0.29
58 0.87
59 1.05
60 1.09
61 0.48
62 0.60
63 0.88
64 0.48
65 0.83
66 0.38
67 0.58
68 -0.53
69 0.06
94 -0.46
95 0.93
96 0.80
97 0.95
98 0.83
99 0.90
100 1.00
101 0.84
102 0.85
103 1.13
104 1.22
105 1.07
106 0.47
107 1.11
108 0.81
109 0.67
110 0.42
111 0.97
112 -0.85
113 -2.07
114 -0.71
115 -0.32
116 0.36
117 0.27
118 1.02
119 0.83
120 0.44
121 0.69
122 -0.10
123 0.64
124 0.75
125 -0.11
126 0.88
127 0.88
128 0.74
129 0.89
130 -0.39
131 -0.35
132 0.06
133 0.04
134 -0.52
135 -0.07
136 0.43
137 0.74
138 -1.09
139 0.54
140 0.28
141 0.70
142 0.27
143 0.29
144 0.87
145 1.05
146 1.09
147 0.48
148 0.63
149 0.87
150 0.55
151 0.83
152 0.38
153 0.59
154 -0.49
155 0.06
#Reported_Model_Average 0.428
#Overall_Average_Reported 0.428
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
8 -0.27
9 1.01
10 0.91
11 0.92
12 0.78
13 0.94
14 1.05
15 0.83
16 0.85
17 0.69
18 1.17
19 0.99
20 0.69
21 1.12
22 0.75
23 0.78
24 0.56
25 0.93
26 -0.20
27 -0.49
28 -0.24
29 -0.11
30 0.36
31 0.57
32 0.71
33 0.83
34 0.63
35 0.75
36 0.50
37 0.74
38 0.75
39 0.40
40 0.88
41 0.76
42 0.58
43 0.99
44 0.01
45 0.10
46 0.06
47 0.29
48 -0.03
49 -0.07
50 0.69
51 0.98
52 -0.01
53 0.43
54 0.28
55 0.70
56 0.28
57 -0.05
58 0.79
59 1.11
60 0.75
61 0.28
62 0.74
63 0.88
64 0.58
65 0.84
66 0.52
67 0.54
68 -0.09
69 0.40
94 -0.31
95 1.00
96 0.91
97 0.92
98 0.75
99 0.94
100 1.05
101 0.83
102 0.85
103 0.69
104 1.17
105 0.99
106 0.69
107 1.12
108 0.73
109 0.78
110 0.56
111 0.93
112 -0.20
113 -0.47
114 -0.29
115 -0.16
116 0.36
117 0.56
118 0.71
119 0.83
120 0.64
121 0.75
122 0.48
123 0.74
124 0.75
125 0.40
126 0.88
127 0.75
128 0.55
129 0.99
130 0.01
131 0.12
132 0.06
133 0.28
134 -0.02
135 -0.07
136 0.68
137 0.95
138 -0.01
139 0.44
140 0.28
141 0.70
142 0.28
143 -0.07
144 0.78
145 1.11
146 0.75
147 0.28
148 0.75
149 0.87
150 0.62
151 0.84
152 0.52
153 0.56
154 -0.10
155 0.39
#Reported_Model_Average 0.548
#Overall_Average_Reported 0.548
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
8 0.17 0.17 0.34 0.34 0.17 0.17 0.34 0.34 0.34 0.17 0.17 0.17 0.34 0.17 0.17 0.34 0.17 0.34 0.34 0.17
9 -0.26 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41
10 0.04 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.04 0.04 0.04 0.28
11 0.71 0.71 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.24 0.24 0.71 0.24 0.71 0.24 0.24 0.24 0.71 0.24 0.24
12 0.66 0.66 0.66 1.00 1.00 0.66 1.00 0.66 1.00 0.66 0.66 0.66 0.66 1.00 0.66 0.66 0.66 1.00 1.00 0.66
13 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
14 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
15 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
16 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81
17 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
18 0.34 0.34 0.34 0.51 0.34 0.34 0.51 0.51 0.34 0.34 0.51 0.34 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.51
19 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
20 -0.33 -0.33 -0.33 0.77 0.29 -0.33 0.77 -0.33 -0.33 -0.33 0.77 -0.33 0.29 0.77 -0.33 -0.33 -0.33 0.77 -0.33 -0.33
21 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51
22 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
23 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
24 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80
25 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 0.47
26 -0.46 -0.46 -0.46 -1.13 0.28 -1.13 -1.13 0.28 -0.46 -1.13 0.28 -0.46 -1.13 -0.46 0.28 -1.13 0.28 -0.46 -0.46 0.28
27 0.04 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04
28 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
29 0.08 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.55 0.08 0.55 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.08
30 0.64 0.44 0.44 0.25 0.44 0.64 0.44 0.44 0.44 0.44 0.64 0.64 0.64 0.44 0.44 0.59 0.64 0.64 0.25 0.64
31 0.51 0.51 0.51 0.34 0.51 0.23 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.23 0.34 0.34 0.34 0.23 0.34 0.51
32 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06
33 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
34 1.06 1.06 0.77 0.77 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 0.77 1.06 1.06 0.77 1.06 1.06 1.06 1.06
35 -0.83 -0.83 0.23 0.23 -0.90 -0.83 0.23 0.23 -0.83 -0.83 1.00 -0.83 -0.83 -0.83 0.23 1.00 0.23 -0.83 0.23 0.23
36 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
37 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
38 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
39 0.41 0.41 0.51 0.51 0.41 0.41 -0.26 -0.26 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.41 0.51 0.51 0.51
40 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
41 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
42 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.55 0.55 0.55 0.08
43 -0.26 0.51 -0.26 -0.26 0.51 0.51 -0.26 -0.26 -0.26 -0.26 -0.26 0.51 0.51 -0.26 0.51 -0.26 0.51 0.51 0.51 -0.26
44 0.93 0.93 0.93 0.81 0.93 0.93 0.81 0.81 0.93 0.93 0.93 0.93 0.81 0.93 0.81 0.81 0.93 0.93 0.81 0.93
45 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
46 0.49 0.49 0.49 0.49 -0.25 0.49 -0.25 -0.25 0.49 0.49 -0.25 0.49 0.49 -0.25 -0.25 -0.25 0.49 0.49 0.49 0.49
47 0.25 0.25 0.25 -0.03 0.25 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25
48 1.00 0.66 1.00 -0.09 1.00 -0.09 1.00 -0.09 -0.09 -0.09 1.00 0.66 -0.40 -0.09 -0.09 -0.09 0.66 -0.09 -0.09 1.00
49 0.25 0.44 0.25 0.44 0.44 0.25 0.44 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.44
50 0.28 -0.46 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.04 0.28 0.28 0.28
51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
52 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47
53 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 -0.44 -0.44 0.71 -0.44 -0.44 -0.44 0.71 -0.44 0.71 0.71 0.71
54 -0.74 -0.74 -0.09 -0.74 1.00 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74
55 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.49 0.14 0.14 0.14
56 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.40 1.00 -0.09 -0.09 -0.09
57 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
58 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51
59 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 -0.26 0.51 0.51 0.41 0.51 0.41
60 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
61 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
62 0.47 -0.10 -0.10 -0.10 0.47 0.47 -0.10 0.47 0.47 -0.10 -0.10 0.47 -0.10 0.47 -0.10 0.47 -0.10 -0.10 0.47 -0.10
63 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.49 0.14 0.14 -0.25 0.14
64 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
65 0.08 0.47 0.47 0.47 0.08 0.47 0.08 0.08 0.47 0.47 0.08 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47
66 -0.03 -0.03 -0.03 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
67 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59
68 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
69 -0.68 -0.33 -0.33 0.77 -0.33 -0.33 -0.68 1.06 -0.68 0.77 0.77 -0.68 -0.33 -0.68 0.77 -0.68 -0.33 -0.33 0.77 -0.33
94 0.17 0.17 0.17 0.34 0.17 0.17 0.34 0.34 0.17 0.17 0.17 0.17 0.34 0.59 0.34 0.34 0.17 0.17 0.34 0.34
95 -0.26 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41
96 0.04 0.28 0.04 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04
97 0.71 0.71 0.71 0.24 0.24 0.71 0.24 -0.41 0.71 0.71 0.24 0.71 0.24 0.71 -0.41 0.24 0.24 0.71 0.24 0.24
98 -0.09 0.66 0.66 0.66 1.00 0.66 1.00 0.66 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 1.00 -0.09 0.66 -0.09 -0.09 0.66
99 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
100 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10 0.47 -0.10
101 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
102 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 -0.54 0.81 0.81
103 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
104 0.34 0.34 0.34 0.51 0.34 0.34 0.51 0.34 0.34 0.34 0.51 0.51 0.34 0.51 0.51 0.51 0.34 0.34 0.34 0.51
105 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
106 -0.33 -0.33 -0.33 0.29 0.29 -0.33 0.77 -0.33 -0.33 -0.33 0.77 -0.33 0.29 0.77 -0.33 0.77 -0.33 0.29 -0.33 0.77
107 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51
108 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 -0.40 0.66 0.66 0.66 0.66
109 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
110 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80
111 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47
112 -0.46 -0.46 0.28 -0.59 -0.46 -0.46 -0.59 0.28 0.28 -0.46 0.28 -0.46 -0.46 0.28 0.28 -0.46 0.28 0.28 -0.46 0.28
113 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04
114 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
115 0.08 0.55 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.55 0.08 0.08 0.55 0.08 0.55 0.55 0.08
116 0.64 0.64 0.64 0.25 0.44 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.44 0.59 0.64 0.64 0.25 0.64
117 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.34 0.34 0.51 0.23 0.34 0.34 0.34 0.23 0.34 0.34
118 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06
119 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
120 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06
121 0.23 0.23 0.23 0.23 -0.83 0.23 0.23 0.23 0.23 0.23 0.23 -0.83 -0.83 -0.83 0.23 1.00 0.23 -0.83 0.23 0.23
122 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
123 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
124 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
125 0.41 0.41 0.51 -0.26 0.41 0.51 -0.26 -0.26 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
126 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
127 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
128 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.55 0.55 0.55 0.08
129 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51
130 0.93 0.93 0.93 0.81 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.81 0.81
131 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
132 -0.25 -0.25 -0.25 0.49 0.49 0.49 -0.25 -0.25 0.49 0.49 -0.25 -0.25 0.49 -0.25 -0.25 -0.25 0.49 -0.25 0.49 0.49
133 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 0.25 0.25
134 1.00 0.66 0.66 -0.09 1.00 -0.09 1.00 -0.09 -0.09 -0.09 0.66 0.66 0.66 -0.09 -0.09 -0.09 0.66 -0.09 -0.09 1.00
135 0.25 0.44 0.44 0.25 0.44 0.25 0.44 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.44
136 0.28 -0.46 0.28 0.28 0.28 0.28 -0.46 0.28 0.04 0.28 0.28 0.28 0.04 0.28 0.28 -0.59 0.04 0.28 0.28 0.28
137 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
138 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 -0.72 -0.10 -0.10 0.47
139 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 -0.44 0.71 0.71 -0.44 -0.44 -0.44 0.71 0.71 -0.44 -0.44 0.71
140 -0.74 -0.74 -0.09 -0.74 1.00 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
141 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
142 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09
143 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
144 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51
145 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.51 0.51 0.51 0.41 0.51 0.51
146 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
147 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
148 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
149 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.49 0.14 0.14 -0.25 0.14
150 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
151 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 -0.72 -0.72 -0.10 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47
152 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
153 0.17 0.17 0.17 0.17 0.17 0.59 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.59 0.17 0.17
154 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
155 -0.33 -0.33 -0.33 -0.33 0.77 0.77 -0.33 1.06 -0.68 -0.33 -0.33 -0.68 -0.33 -0.68 0.77 -0.68 -0.33 -0.33 0.77 -0.68
#Reported_Model_Average 0.441 0.441 0.465 0.467 0.510 0.465 0.441 0.451 0.418 0.415 0.519 0.465 0.431 0.421 0.444 0.416 0.476 0.445 0.461 0.497
#Overall_Average_Reported 0.454
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
8 0.17 0.17 0.34 0.34 0.17 0.17 0.34 0.34 0.34 0.17 0.17 0.17 0.34 0.17 0.17 0.34 0.17 0.34 0.34 0.17
9 -0.26 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41
10 0.04 0.28 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.04 0.04 0.04 0.28
11 0.71 0.71 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.24 0.24 0.71 0.24 0.71 0.24 0.24 0.24 0.71 0.24 0.24
12 0.66 0.66 0.66 1.00 1.00 0.66 1.00 0.66 1.00 0.66 0.66 0.66 0.66 1.00 0.66 0.66 0.66 1.00 1.00 0.66
13 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
14 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
15 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
16 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81
17 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
18 0.34 0.34 0.34 0.51 0.34 0.34 0.51 0.51 0.34 0.34 0.51 0.34 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.51
19 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
20 -0.33 -0.33 -0.33 0.77 0.29 -0.33 0.77 -0.33 -0.33 -0.33 0.77 -0.33 0.29 0.77 -0.33 -0.33 -0.33 0.77 -0.33 -0.33
21 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51
22 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
23 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
24 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80
25 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 0.47
26 -0.46 -0.46 -0.46 -1.13 0.28 -1.13 -1.13 0.28 -0.46 -1.13 0.28 -0.46 -1.13 -0.46 0.28 -1.13 0.28 -0.46 -0.46 0.28
27 0.04 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04
28 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
29 0.08 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.55 0.08 0.55 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.08
30 0.64 0.44 0.44 0.25 0.44 0.64 0.44 0.44 0.44 0.44 0.64 0.64 0.64 0.44 0.44 0.59 0.64 0.64 0.25 0.64
31 0.51 0.51 0.51 0.34 0.51 0.23 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.23 0.34 0.34 0.34 0.23 0.34 0.51
32 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06
33 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
34 1.06 1.06 0.77 0.77 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 0.77 1.06 1.06 0.77 1.06 1.06 1.06 1.06
35 -0.83 -0.83 0.23 0.23 -0.90 -0.83 0.23 0.23 -0.83 -0.83 1.00 -0.83 -0.83 -0.83 0.23 1.00 0.23 -0.83 0.23 0.23
36 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
37 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
38 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
39 0.41 0.41 0.51 0.51 0.41 0.41 -0.26 -0.26 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.41 0.51 0.51 0.51
40 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
41 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
42 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.55 0.55 0.55 0.08
43 -0.26 0.51 -0.26 -0.26 0.51 0.51 -0.26 -0.26 -0.26 -0.26 -0.26 0.51 0.51 -0.26 0.51 -0.26 0.51 0.51 0.51 -0.26
44 0.93 0.93 0.93 0.81 0.93 0.93 0.81 0.81 0.93 0.93 0.93 0.93 0.81 0.93 0.81 0.81 0.93 0.93 0.81 0.93
45 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
46 0.49 0.49 0.49 0.49 -0.25 0.49 -0.25 -0.25 0.49 0.49 -0.25 0.49 0.49 -0.25 -0.25 -0.25 0.49 0.49 0.49 0.49
47 0.25 0.25 0.25 -0.03 0.25 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25
48 1.00 0.66 1.00 -0.09 1.00 -0.09 1.00 -0.09 -0.09 -0.09 1.00 0.66 -0.40 -0.09 -0.09 -0.09 0.66 -0.09 -0.09 1.00
49 0.25 0.44 0.25 0.44 0.44 0.25 0.44 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.44
50 0.28 -0.46 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.04 0.28 0.28 0.28
51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
52 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47
53 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 -0.44 -0.44 0.71 -0.44 -0.44 -0.44 0.71 -0.44 0.71 0.71 0.71
54 -0.74 -0.74 -0.09 -0.74 1.00 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74
55 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.49 0.14 0.14 0.14
56 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.40 1.00 -0.09 -0.09 -0.09
57 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
58 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51
59 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 -0.26 0.51 0.51 0.41 0.51 0.41
60 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
61 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
62 0.47 -0.10 -0.10 -0.10 0.47 0.47 -0.10 0.47 0.47 -0.10 -0.10 0.47 -0.10 0.47 -0.10 0.47 -0.10 -0.10 0.47 -0.10
63 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.49 0.14 0.14 -0.25 0.14
64 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
65 0.08 0.47 0.47 0.47 0.08 0.47 0.08 0.08 0.47 0.47 0.08 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47
66 -0.03 -0.03 -0.03 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
67 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59
68 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
69 -0.68 -0.33 -0.33 0.77 -0.33 -0.33 -0.68 1.06 -0.68 0.77 0.77 -0.68 -0.33 -0.68 0.77 -0.68 -0.33 -0.33 0.77 -0.33
94 0.17 0.17 0.17 0.34 0.17 0.17 0.34 0.34 0.17 0.17 0.17 0.17 0.34 0.59 0.34 0.34 0.17 0.17 0.34 0.34
95 -0.26 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41
96 0.04 0.28 0.04 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04
97 0.71 0.71 0.71 0.24 0.24 0.71 0.24 -0.41 0.71 0.71 0.24 0.71 0.24 0.71 -0.41 0.24 0.24 0.71 0.24 0.24
98 -0.09 0.66 0.66 0.66 1.00 0.66 1.00 0.66 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 1.00 -0.09 0.66 -0.09 -0.09 0.66
99 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
100 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10 0.47 -0.10
101 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
102 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 -0.54 0.81 0.81
103 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
104 0.34 0.34 0.34 0.51 0.34 0.34 0.51 0.34 0.34 0.34 0.51 0.51 0.34 0.51 0.51 0.51 0.34 0.34 0.34 0.51
105 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
106 -0.33 -0.33 -0.33 0.29 0.29 -0.33 0.77 -0.33 -0.33 -0.33 0.77 -0.33 0.29 0.77 -0.33 0.77 -0.33 0.29 -0.33 0.77
107 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51
108 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 -0.40 0.66 0.66 0.66 0.66
109 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
110 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80
111 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47
112 -0.46 -0.46 0.28 -0.59 -0.46 -0.46 -0.59 0.28 0.28 -0.46 0.28 -0.46 -0.46 0.28 0.28 -0.46 0.28 0.28 -0.46 0.28
113 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04
114 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
115 0.08 0.55 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.55 0.08 0.08 0.55 0.08 0.55 0.55 0.08
116 0.64 0.64 0.64 0.25 0.44 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.44 0.59 0.64 0.64 0.25 0.64
117 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.34 0.34 0.51 0.23 0.34 0.34 0.34 0.23 0.34 0.34
118 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06
119 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
120 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06
121 0.23 0.23 0.23 0.23 -0.83 0.23 0.23 0.23 0.23 0.23 0.23 -0.83 -0.83 -0.83 0.23 1.00 0.23 -0.83 0.23 0.23
122 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
123 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
124 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
125 0.41 0.41 0.51 -0.26 0.41 0.51 -0.26 -0.26 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
126 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
127 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
128 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.55 0.55 0.55 0.08
129 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51
130 0.93 0.93 0.93 0.81 0.93 0.93 0.81 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.81 0.93 0.93 0.81 0.81
131 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
132 -0.25 -0.25 -0.25 0.49 0.49 0.49 -0.25 -0.25 0.49 0.49 -0.25 -0.25 0.49 -0.25 -0.25 -0.25 0.49 -0.25 0.49 0.49
133 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 0.25 0.25
134 1.00 0.66 0.66 -0.09 1.00 -0.09 1.00 -0.09 -0.09 -0.09 0.66 0.66 0.66 -0.09 -0.09 -0.09 0.66 -0.09 -0.09 1.00
135 0.25 0.44 0.44 0.25 0.44 0.25 0.44 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.44
136 0.28 -0.46 0.28 0.28 0.28 0.28 -0.46 0.28 0.04 0.28 0.28 0.28 0.04 0.28 0.28 -0.59 0.04 0.28 0.28 0.28
137 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
138 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 -0.72 -0.10 -0.10 0.47
139 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 -0.44 0.71 0.71 -0.44 -0.44 -0.44 0.71 0.71 -0.44 -0.44 0.71
140 -0.74 -0.74 -0.09 -0.74 1.00 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
141 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
142 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09
143 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
144 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51
145 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.51 0.51 0.51 0.41 0.51 0.51
146 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
147 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
148 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
149 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.49 0.14 0.14 -0.25 0.14
150 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
151 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 -0.72 -0.72 -0.10 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47
152 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
153 0.17 0.17 0.17 0.17 0.17 0.59 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.59 0.17 0.17
154 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
155 -0.33 -0.33 -0.33 -0.33 0.77 0.77 -0.33 1.06 -0.68 -0.33 -0.33 -0.68 -0.33 -0.68 0.77 -0.68 -0.33 -0.33 0.77 -0.68
#Reported_Model_Average 0.441 0.441 0.465 0.467 0.510 0.465 0.441 0.451 0.418 0.415 0.519 0.465 0.431 0.421 0.444 0.416 0.476 0.445 0.461 0.497
#Overall_Average_Reported 0.454
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
8.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
10.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
11.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
16.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
19.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
20.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0
34.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
36.000 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 1 0 0 0 0
37.000 0 0 0 0 0 0 0 1 0 1 0 1 0 0 1 0 1 0 0 0
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1
41.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0
42.000 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 2 0 0 1 0
43.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1
45.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 0
46.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0
49.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
50.000 0 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0
54.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
57.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
59.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
61.000 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 1 1 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
63.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
64.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
65.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
68.000 0 0 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 1 1 0
69.000 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
94.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
95.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
96.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
97.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
98.000 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0
99.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
100.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
101.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
102.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
105.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
106.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
107.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
108.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
109.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
110.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
111.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
112.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
113.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
114.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0
115.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
116.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
117.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
118.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0
119.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0
120.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0
121.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
122.000 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 1 0 0 0 0
123.000 0 0 0 0 0 0 0 1 0 1 0 1 0 0 1 0 1 0 0 0
124.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
125.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
126.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1
127.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0
128.000 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 2 0 0 1 0
129.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
130.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1
131.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 0
132.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
133.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
134.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0
135.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
136.000 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
137.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
138.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
139.000 0 2 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 2 0 0
140.000 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
141.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
142.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
143.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
144.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
145.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
146.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
147.000 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 1 1 0 0
148.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
149.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
150.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
151.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
152.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
153.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
154.000 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0
155.000 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.016 0.081 0.016 0.097 0.024 0.016 0.008 0.065 0.097 0.048 0.048 0.048 0.000 0.113 0.097 0.177 0.048 0.210 0.032 0.032
#Overall_Average_Reported 0.064
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 7 TYR 1HB :M 6 LYS O : -0.460: 0
: 2433:M 93 TYR 1HB :M 92 LYS O : -0.456: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.449: 0
#sum2 ::1.23 clashscore : 1.23 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272367 potential dots:17020.0 A^2:3 bumps:3 bumps B<40:1072 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 69 LEU 2HD1 :M 65 LYS HA : -0.465: 0
: 2433:M 151 LYS HA :M 155 LEU 2HD1 : -0.451: 0
: 2433:M 53 ARG NH1 :M 157 HIS ND1 : -0.440: 0
: 2433:M 50 GLU HA :M 53 ARG 1HB : -0.402: 0
: 2433:M 71 HIS ND1 :M 139 ARG NH1 : -0.439: 0
: 2433:M 139 ARG 1HB :M 136 GLU HA : -0.401: 0
#sum2 ::2.47 clashscore : 2.47 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272323 potential dots:17020.0 A^2:6 bumps:6 bumps B<40:1078 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 158 HIS HA :M 53 ARG 1HD : -0.425: 0
: 2433:M 139 ARG 1HD :M 72 HIS HA : -0.420: 0
#sum2 ::0.82 clashscore : 0.82 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272219 potential dots:17010.0 A^2:2 bumps:2 bumps B<40:1059 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 50 GLU H :M 50 GLU CD : -0.506: 0
: 2433:M 136 GLU CD :M 136 GLU H : -0.472: 0
: 2433:M 69 LEU 1HD2 :M 140 VAL HA : -0.422: 0
: 2433:M 54 VAL HA :M 155 LEU 1HD2 : -0.421: 0
: 2433:M 68 VAL 2HG2 :M 128 THR HA : -0.412: 0
: 2433:M 42 THR HA :M 154 VAL 2HG2 : -0.407: 0
#sum2 ::2.47 clashscore : 2.47 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272200 potential dots:17010.0 A^2:6 bumps:6 bumps B<40:1015 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 147 THR HB :M 61 THR HB : -0.452: 0
: 2433:M 76 HIS CD2 :M 140 VAL HB : -0.411: 0
#sum2 ::0.82 clashscore : 0.82 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272250 potential dots:17020.0 A^2:2 bumps:2 bumps B<40:1094 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 5 SER O :M 6 LYS 1HB : -0.491: 0
: 2433:M 5 SER O :M 6 LYS CB : -0.448: 0
: 2433:M 92 LYS 1HB :M 91 SER O : -0.490: 0
: 2433:M 91 SER O :M 92 LYS CB : -0.452: 0
: 2433:M 154 VAL O :M 158 HIS N : -0.451: 0
: 2433:M 157 HIS O :M 158 HIS 1HB : -0.443: 0
: 2433:M 72 HIS 1HB :M 71 HIS O : -0.446: 0
: 2433:M 68 VAL O :M 72 HIS N : -0.443: 0
#sum2 ::3.29 clashscore : 3.29 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272101 potential dots:17010.0 A^2:8 bumps:8 bumps B<40:1063 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 88 PRO 2HD :M 87 MET 2HB : -0.490: 0
: 2433:M 87 MET 2HB :M 88 PRO CD : -0.475: 0
: 2433:M 2 PRO 2HD :M 1 MET 2HB : -0.477: 0
: 2433:M 2 PRO CD :M 1 MET 2HB : -0.462: 0
: 2433:M 50 GLU 2HB :M 159 HIS HA : -0.400: 0
#sum2 ::2.06 clashscore : 2.06 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272183 potential dots:17010.0 A^2:5 bumps:5 bumps B<40:1058 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 37 LEU 2HD1 :M 130 ILE 3HD1 : -0.465: 0
: 2433:M 123 LEU 2HD1 :M 44 ILE 3HD1 : -0.455: 0
: 2433:M 46 ALA HA :M 53 ARG CZ : -0.430: 0
: 2433:M 132 ALA HA :M 139 ARG CZ : -0.426: 0
#sum2 ::1.64 clashscore : 1.64 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272360 potential dots:17020.0 A^2:4 bumps:4 bumps B<40:1092 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 71 HIS CD2 :M 71 HIS O : -0.523: 0
: 2433:M 157 HIS O :M 157 HIS CD2 : -0.519: 0
: 2433:M 36 CYS HA :M 102 ILE 1HG1 : -0.443: 0
: 2433:M 101 ILE HB :M 36 CYS SG : -0.427: 0
: 2433:M 122 CYS HA :M 16 ILE 1HG1 : -0.435: 0
: 2433:M 15 ILE HB :M 122 CYS SG : -0.425: 0
: 2433:M 93 TYR HA :M 97 ARG 1HD : -0.422: 0
: 2433:M 11 ARG 1HD :M 7 TYR HA : -0.420: 0
: 2433:M 139 ARG 1HG :M 68 VAL 3HG2 : -0.402: 0
#sum2 ::3.70 clashscore : 3.70 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272231 potential dots:17010.0 A^2:9 bumps:9 bumps B<40:1016 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 88 PRO 2HD :M 87 MET 2HB : -0.510: 0
: 2433:M 87 MET 2HB :M 88 PRO CD : -0.466: 0
: 2433:M 2 PRO 2HD :M 1 MET 2HB : -0.504: 0
: 2433:M 2 PRO CD :M 1 MET 2HB : -0.473: 0
: 2433:M 159 HIS N :M 158 HIS ND1 : -0.435: 0
: 2433:M 73 HIS N :M 72 HIS ND1 : -0.426: 0
: 2433:M 123 LEU 2HD2 :M 37 LEU 2HD2 : -0.408: 0
: 2433:M 68 VAL 2HG2 :M 128 THR HA : -0.401: 0
: 2433:M 42 THR HA :M 154 VAL 2HG2 : -0.401: 0
#sum2 ::3.70 clashscore : 3.70 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272200 potential dots:17010.0 A^2:9 bumps:9 bumps B<40:1051 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 5 SER O :M 6 LYS 1HB : -0.487: 0
: 2433:M 92 LYS 1HB :M 91 SER O : -0.486: 0
: 2433:M 36 CYS SG :M 98 VAL HA : -0.486: 0
: 2433:M 122 CYS SG :M 12 VAL HA : -0.480: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.435: 0
#sum2 ::2.06 clashscore : 2.06 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272113 potential dots:17010.0 A^2:5 bumps:5 bumps B<40:1011 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 40 ALA 3HB :M 37 LEU HA : -0.470: 0
: 2433:M 126 ALA 3HB :M 123 LEU HA : -0.453: 0
: 2433:M 93 TYR H :M 90 VAL 2HG1 : -0.422: 0
: 2433:M 4 VAL 2HG1 :M 7 TYR H : -0.413: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.400: 0
#sum2 ::2.06 clashscore : 2.06 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272368 potential dots:17020.0 A^2:5 bumps:5 bumps B<40:1053 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
#sum2 ::0.00 clashscore : 0.00 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272458 potential dots:17030.0 A^2:0 bumps:0 bumps B<40:1083 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 158 HIS HA :M 162 HIS 1HB : -0.449: 0
: 2433:M 143 VAL HA :M 146 PHE 2HB : -0.438: 0
: 2433:M 112 GLU 1HB :M 114 VAL 3HG2 : -0.431: 0
: 2433:M 76 HIS 1HB :M 72 HIS HA : -0.424: 0
: 2433:M 60 PHE 2HB :M 57 VAL HA : -0.423: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG2 : -0.419: 0
: 2433:M 120 LEU 2HD2 :M 41 VAL 3HG1 : -0.410: 0
: 2433:M 98 VAL 2HG2 :M 32 LEU 1HD2 : -0.407: 0
: 2433:M 12 VAL 2HG2 :M 118 LEU 1HD2 : -0.406: 0
#sum2 ::3.70 clashscore : 3.70 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272584 potential dots:17040.0 A^2:9 bumps:9 bumps B<40:992.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 35 MET 2HE :M 98 VAL 1HG2 : -0.439: 0
: 2433:M 121 MET 2HE :M 12 VAL 1HG2 : -0.418: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.417: 0
: 2433:M 115 THR HB :M 116 PRO 1HD : -0.415: 0
: 2433:M 29 THR HB :M 30 PRO 1HD : -0.409: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.408: 0
#sum2 ::2.47 clashscore : 2.47 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272123 potential dots:17010.0 A^2:6 bumps:6 bumps B<40:1139 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 114 VAL HA :M 118 LEU 3HD2 : -0.501: 0
: 2433:M 122 CYS SG :M 118 LEU HG : -0.415: 0
: 2433:M 32 LEU 3HD2 :M 28 VAL HA : -0.495: 0
: 2433:M 32 LEU HG :M 36 CYS SG : -0.419: 0
: 2433:M 128 THR HA :M 131 ILE HB : -0.456: 0
: 2433:M 128 THR 1HG2 :M 67 SER 2HB : -0.432: 0
: 2433:M 131 ILE O :M 134 VAL 2HG2 : -0.420: 0
: 2433:M 42 THR HA :M 45 ILE HB : -0.452: 0
: 2433:M 153 SER 2HB :M 42 THR 1HG2 : -0.442: 0
: 2433:M 45 ILE O :M 48 VAL 2HG2 : -0.424: 0
: 2433:M 150 LEU 1HD1 :M 64 LEU 1HD1 : -0.420: 0
#sum2 ::4.52 clashscore : 4.52 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272305 potential dots:17020.0 A^2:11 bumps:11 bumps B<40:1081 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 126 ALA 3HB :M 123 LEU HA : -0.499: 0
: 2433:M 40 ALA 3HB :M 37 LEU HA : -0.496: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.476: 0
: 2433:M 89 ILE HB :M 88 PRO O : -0.458: 0
: 2433:M 2 PRO O :M 3 ILE HB : -0.455: 0
#sum2 ::2.06 clashscore : 2.06 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272093 potential dots:17010.0 A^2:5 bumps:5 bumps B<40:1075 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 44 ILE 3HD1 :M 119 ALA 1HB : -0.517: 0
: 2433:M 119 ALA 2HB :M 114 VAL 3HG2 : -0.416: 0
: 2433:M 33 ALA 1HB :M 130 ILE 3HD1 : -0.513: 0
: 2433:M 28 VAL 3HG2 :M 33 ALA 2HB : -0.411: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.508: 0
: 2433:M 34 LEU 2HD2 :M 127 VAL 3HG1 : -0.489: 0
: 2433:M 120 LEU 2HD2 :M 41 VAL 3HG1 : -0.462: 0
: 2433:M 131 ILE O :M 139 ARG 2HG : -0.425: 0
: 2433:M 131 ILE O :M 134 VAL 2HG2 : -0.418: 0
: 2433:M 139 ARG 1HG :M 68 VAL 3HG1 : -0.410: 0
: 2433:M 45 ILE O :M 48 VAL 2HG2 : -0.423: 0
: 2433:M 45 ILE O :M 53 ARG 2HG : -0.422: 0
: 2433:M 70 GLU 1HG :M 66 GLN O : -0.416: 0
: 2433:M 88 PRO HA :M 92 LYS 1HD : -0.414: 0
: 2433:M 156 GLU 1HG :M 152 GLN O : -0.413: 0
#sum2 ::6.17 clashscore : 6.17 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272445 potential dots:17030.0 A^2:15 bumps:15 bumps B<40:1040 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 42 THR HA :M 154 VAL 2HG2 : -0.504: 0
: 2433:M 4 VAL HB :M 3 ILE O : -0.502: 0
: 2433:M 68 VAL 2HG2 :M 128 THR HA : -0.496: 0
: 2433:M 89 ILE O :M 90 VAL HB : -0.491: 0
#sum2 ::1.64 clashscore : 1.64 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272513 potential dots:17030.0 A^2:4 bumps:4 bumps B<40:1107 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 92 LYS 2HB :M 91 SER O : -0.453: 0
: 2433:M 5 SER O :M 6 LYS 2HB : -0.447: 0
: 2433:M 40 ALA O :M 44 ILE 1HG1 : -0.415: 0
: 2433:M 130 ILE 1HG1 :M 126 ALA O : -0.414: 0
#sum2 ::1.64 clashscore : 1.64 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272168 potential dots:17010.0 A^2:4 bumps:4 bumps B<40:1119 score
Output from PDB validation software
Summary from PDB validation
May. 14, 13:48:45 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.009 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
0.059 PRO A 2 2 CD - N 1.532 1.473
0.059 PRO B 2 2 CD - N 1.532 1.473
0.060 PRO A 2 7 CD - N 1.533 1.473
0.060 PRO B 2 7 CD - N 1.533 1.473
0.082 PRO A 2 10 CD - N 1.555 1.473
0.081 PRO B 2 10 CD - N 1.554 1.473
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-7.7 CYS A 36 1 N - CA - CB 102.8 110.5
-7.7 CYS B 36 1 N - CA - CB 102.8 110.5
-7.7 CYS A 36 2 N - CA - CB 102.8 110.5
-7.7 CYS B 36 2 N - CA - CB 102.8 110.5
-7.7 CYS A 36 3 N - CA - CB 102.8 110.5
-7.7 CYS B 36 3 N - CA - CB 102.8 110.5
-7.7 CYS A 36 4 N - CA - CB 102.8 110.5
-7.8 CYS B 36 4 N - CA - CB 102.7 110.5
-7.7 CYS A 36 5 N - CA - CB 102.8 110.5
-7.7 CYS B 36 5 N - CA - CB 102.8 110.5
-4.8 LYS A 6 6 N - CA - C 106.4 111.2
-7.7 CYS A 36 6 N - CA - CB 102.8 110.5
-4.8 LYS B 6 6 N - CA - C 106.4 111.2
-7.7 CYS B 36 6 N - CA - CB 102.8 110.5
-7.6 CYS A 36 7 N - CA - CB 102.9 110.5
-7.6 CYS B 36 7 N - CA - CB 102.9 110.5
-7.8 CYS A 36 8 N - CA - CB 102.7 110.5
-7.8 CYS B 36 8 N - CA - CB 102.7 110.5
-7.6 CYS A 36 9 N - CA - CB 102.9 110.5
-7.6 CYS B 36 9 N - CA - CB 102.9 110.5
-7.7 CYS A 36 10 N - CA - CB 102.8 110.5
-7.7 CYS B 36 10 N - CA - CB 102.8 110.5
-7.8 CYS A 36 11 N - CA - CB 102.7 110.5
-4.0 HIS A 75 11 N - CA - C 107.2 111.2
-7.8 CYS B 36 11 N - CA - CB 102.7 110.5
-4.1 HIS B 75 11 N - CA - C 107.1 111.2
-7.5 CYS A 36 12 N - CA - CB 103.0 110.5
-7.6 CYS B 36 12 N - CA - CB 102.9 110.5
-7.7 CYS A 36 13 N - CA - CB 102.8 110.5
-7.7 CYS B 36 13 N - CA - CB 102.8 110.5
-7.7 CYS A 36 14 N - CA - CB 102.8 110.5
-7.7 CYS B 36 14 N - CA - CB 102.8 110.5
-7.7 CYS A 36 15 N - CA - CB 102.8 110.5
-7.7 CYS B 36 15 N - CA - CB 102.8 110.5
-7.8 CYS A 36 16 N - CA - CB 102.7 110.5
-7.8 CYS B 36 16 N - CA - CB 102.7 110.5
-7.7 CYS A 36 17 N - CA - CB 102.8 110.5
-7.7 CYS B 36 17 N - CA - CB 102.8 110.5
-7.7 CYS A 36 18 N - CA - CB 102.8 110.5
-7.6 CYS B 36 18 N - CA - CB 102.9 110.5
-7.8 CYS A 36 19 N - CA - CB 102.7 110.5
-7.8 CYS B 36 19 N - CA - CB 102.7 110.5
-7.8 CYS A 36 20 N - CA - CB 102.7 110.5
-4.2 HIS A 75 20 N - CA - C 107.0 111.2
-7.8 CYS B 36 20 N - CA - CB 102.7 110.5
-4.2 HIS B 75 20 N - CA - C 107.0 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 9 1HD2
1 A ASN 9 2HD2
1 A GLN 17 1HE2
1 A GLN 17 2HE2
1 A ASN 39 1HD2
1 A ASN 39 2HD2
1 A ASN 43 1HD2
1 A ASN 43 2HD2
1 A GLN 47 1HE2
1 A GLN 47 2HE2
1 A ASN 59 1HD2
1 A ASN 59 2HD2
1 A GLN 66 1HE2
1 A GLN 66 2HE2
1 B ASN 9 1HD2
1 B ASN 9 2HD2
1 B GLN 17 1HE2
1 B GLN 17 2HE2
1 B ASN 39 1HD2
1 B ASN 39 2HD2
1 B ASN 43 1HD2
1 B ASN 43 2HD2
1 B GLN 47 1HE2
1 B GLN 47 2HE2
1 B ASN 59 1HD2
1 B ASN 59 2HD2
1 B GLN 66 1HE2
1 B GLN 66 2HE2
2 A ASN 9 1HD2
2 A ASN 9 2HD2
2 A GLN 17 1HE2
2 A GLN 17 2HE2
2 A ASN 39 1HD2
2 A ASN 39 2HD2
2 A ASN 43 1HD2
2 A ASN 43 2HD2
2 A GLN 47 1HE2
2 A GLN 47 2HE2
2 A ASN 59 1HD2
2 A ASN 59 2HD2
2 A GLN 66 1HE2
2 A GLN 66 2HE2
2 B ASN 9 1HD2
2 B ASN 9 2HD2
2 B GLN 17 1HE2
2 B GLN 17 2HE2
2 B ASN 39 1HD2
2 B ASN 39 2HD2
2 B ASN 43 1HD2
2 B ASN 43 2HD2
2 B GLN 47 1HE2
2 B GLN 47 2HE2
2 B ASN 59 1HD2
2 B ASN 59 2HD2
2 B GLN 66 1HE2
2 B GLN 66 2HE2
3 A ASN 9 1HD2
3 A ASN 9 2HD2
3 A GLN 17 1HE2
3 A GLN 17 2HE2
3 A ASN 39 1HD2
3 A ASN 39 2HD2
3 A ASN 43 1HD2
3 A ASN 43 2HD2
3 A GLN 47 1HE2
3 A GLN 47 2HE2
3 A ASN 59 1HD2
3 A ASN 59 2HD2
3 A GLN 66 1HE2
3 A GLN 66 2HE2
3 B ASN 9 1HD2
3 B ASN 9 2HD2
3 B GLN 17 1HE2
3 B GLN 17 2HE2
3 B ASN 39 1HD2
3 B ASN 39 2HD2
3 B ASN 43 1HD2
3 B ASN 43 2HD2
3 B GLN 47 1HE2
3 B GLN 47 2HE2
3 B ASN 59 1HD2
3 B ASN 59 2HD2
3 B GLN 66 1HE2
3 B GLN 66 2HE2
4 A ASN 9 1HD2
4 A ASN 9 2HD2
4 A GLN 17 1HE2
4 A GLN 17 2HE2
4 A ASN 39 1HD2
4 A ASN 39 2HD2
4 A ASN 43 1HD2
4 A ASN 43 2HD2
4 A GLN 47 1HE2
4 A GLN 47 2HE2
4 A ASN 59 1HD2
4 A ASN 59 2HD2
4 A GLN 66 1HE2
4 A GLN 66 2HE2
4 B ASN 9 1HD2
4 B ASN 9 2HD2
4 B GLN 17 1HE2
4 B GLN 17 2HE2
4 B ASN 39 1HD2
4 B ASN 39 2HD2
4 B ASN 43 1HD2
4 B ASN 43 2HD2
4 B GLN 47 1HE2
4 B GLN 47 2HE2
4 B ASN 59 1HD2
4 B ASN 59 2HD2
4 B GLN 66 1HE2
4 B GLN 66 2HE2
5 A ASN 9 1HD2
5 A ASN 9 2HD2
5 A GLN 17 1HE2
5 A GLN 17 2HE2
5 A ASN 39 1HD2
5 A ASN 39 2HD2
5 A ASN 43 1HD2
5 A ASN 43 2HD2
5 A GLN 47 1HE2
5 A GLN 47 2HE2
5 A ASN 59 1HD2
5 A ASN 59 2HD2
5 A GLN 66 1HE2
5 A GLN 66 2HE2
5 B ASN 9 1HD2
5 B ASN 9 2HD2
5 B GLN 17 1HE2
5 B GLN 17 2HE2
5 B ASN 39 1HD2
5 B ASN 39 2HD2
5 B ASN 43 1HD2
5 B ASN 43 2HD2
5 B GLN 47 1HE2
5 B GLN 47 2HE2
5 B ASN 59 1HD2
5 B ASN 59 2HD2
5 B GLN 66 1HE2
5 B GLN 66 2HE2
6 A ASN 9 1HD2
6 A ASN 9 2HD2
6 A GLN 17 1HE2
6 A GLN 17 2HE2
6 A ASN 39 1HD2
6 A ASN 39 2HD2
6 A ASN 43 1HD2
6 A ASN 43 2HD2
6 A GLN 47 1HE2
6 A GLN 47 2HE2
6 A ASN 59 1HD2
6 A ASN 59 2HD2
6 A GLN 66 1HE2
6 A GLN 66 2HE2
6 B ASN 9 1HD2
6 B ASN 9 2HD2
6 B GLN 17 1HE2
6 B GLN 17 2HE2
6 B ASN 39 1HD2
6 B ASN 39 2HD2
6 B ASN 43 1HD2
6 B ASN 43 2HD2
6 B GLN 47 1HE2
6 B GLN 47 2HE2
6 B ASN 59 1HD2
6 B ASN 59 2HD2
6 B GLN 66 1HE2
6 B GLN 66 2HE2
7 A ASN 9 1HD2
7 A ASN 9 2HD2
7 A GLN 17 1HE2
7 A GLN 17 2HE2
7 A ASN 39 1HD2
7 A ASN 39 2HD2
7 A ASN 43 1HD2
7 A ASN 43 2HD2
7 A GLN 47 1HE2
7 A GLN 47 2HE2
7 A ASN 59 1HD2
7 A ASN 59 2HD2
7 A GLN 66 1HE2
7 A GLN 66 2HE2
7 B ASN 9 1HD2
7 B ASN 9 2HD2
7 B GLN 17 1HE2
7 B GLN 17 2HE2
7 B ASN 39 1HD2
7 B ASN 39 2HD2
7 B ASN 43 1HD2
7 B ASN 43 2HD2
7 B GLN 47 1HE2
7 B GLN 47 2HE2
7 B ASN 59 1HD2
7 B ASN 59 2HD2
7 B GLN 66 1HE2
7 B GLN 66 2HE2
8 A ASN 9 1HD2
8 A ASN 9 2HD2
8 A GLN 17 1HE2
8 A GLN 17 2HE2
8 A ASN 39 1HD2
8 A ASN 39 2HD2
8 A ASN 43 1HD2
8 A ASN 43 2HD2
8 A GLN 47 1HE2
8 A GLN 47 2HE2
8 A ASN 59 1HD2
8 A ASN 59 2HD2
8 A GLN 66 1HE2
8 A GLN 66 2HE2
8 B ASN 9 1HD2
8 B ASN 9 2HD2
8 B GLN 17 1HE2
8 B GLN 17 2HE2
8 B ASN 39 1HD2
8 B ASN 39 2HD2
8 B ASN 43 1HD2
8 B ASN 43 2HD2
8 B GLN 47 1HE2
8 B GLN 47 2HE2
8 B ASN 59 1HD2
8 B ASN 59 2HD2
8 B GLN 66 1HE2
8 B GLN 66 2HE2
9 A ASN 9 1HD2
9 A ASN 9 2HD2
9 A GLN 17 1HE2
9 A GLN 17 2HE2
9 A ASN 39 1HD2
9 A ASN 39 2HD2
9 A ASN 43 1HD2
9 A ASN 43 2HD2
9 A GLN 47 1HE2
9 A GLN 47 2HE2
9 A ASN 59 1HD2
9 A ASN 59 2HD2
9 A GLN 66 1HE2
9 A GLN 66 2HE2
9 B ASN 9 1HD2
9 B ASN 9 2HD2
9 B GLN 17 1HE2
9 B GLN 17 2HE2
9 B ASN 39 1HD2
9 B ASN 39 2HD2
9 B ASN 43 1HD2
9 B ASN 43 2HD2
9 B GLN 47 1HE2
9 B GLN 47 2HE2
9 B ASN 59 1HD2
9 B ASN 59 2HD2
9 B GLN 66 1HE2
9 B GLN 66 2HE2
10 A ASN 9 1HD2
10 A ASN 9 2HD2
10 A GLN 17 1HE2
10 A GLN 17 2HE2
10 A ASN 39 1HD2
10 A ASN 39 2HD2
10 A ASN 43 1HD2
10 A ASN 43 2HD2
10 A GLN 47 1HE2
10 A GLN 47 2HE2
10 A ASN 59 1HD2
10 A ASN 59 2HD2
10 A GLN 66 1HE2
10 A GLN 66 2HE2
10 B ASN 9 1HD2
10 B ASN 9 2HD2
10 B GLN 17 1HE2
10 B GLN 17 2HE2
10 B ASN 39 1HD2
10 B ASN 39 2HD2
10 B ASN 43 1HD2
10 B ASN 43 2HD2
10 B GLN 47 1HE2
10 B GLN 47 2HE2
10 B ASN 59 1HD2
10 B ASN 59 2HD2
10 B GLN 66 1HE2
10 B GLN 66 2HE2
11 A ASN 9 1HD2
11 A ASN 9 2HD2
11 A GLN 17 1HE2
11 A GLN 17 2HE2
11 A ASN 39 1HD2
11 A ASN 39 2HD2
11 A ASN 43 1HD2
11 A ASN 43 2HD2
11 A GLN 47 1HE2
11 A GLN 47 2HE2
11 A ASN 59 1HD2
11 A ASN 59 2HD2
11 A GLN 66 1HE2
11 A GLN 66 2HE2
11 B ASN 9 1HD2
11 B ASN 9 2HD2
11 B GLN 17 1HE2
11 B GLN 17 2HE2
11 B ASN 39 1HD2
11 B ASN 39 2HD2
11 B ASN 43 1HD2
11 B ASN 43 2HD2
11 B GLN 47 1HE2
11 B GLN 47 2HE2
11 B ASN 59 1HD2
11 B ASN 59 2HD2
11 B GLN 66 1HE2
11 B GLN 66 2HE2
12 A ASN 9 1HD2
12 A ASN 9 2HD2
12 A GLN 17 1HE2
12 A GLN 17 2HE2
12 A ASN 39 1HD2
12 A ASN 39 2HD2
12 A ASN 43 1HD2
12 A ASN 43 2HD2
12 A GLN 47 1HE2
12 A GLN 47 2HE2
12 A ASN 59 1HD2
12 A ASN 59 2HD2
12 A GLN 66 1HE2
12 A GLN 66 2HE2
12 B ASN 9 1HD2
12 B ASN 9 2HD2
12 B GLN 17 1HE2
12 B GLN 17 2HE2
12 B ASN 39 1HD2
12 B ASN 39 2HD2
12 B ASN 43 1HD2
12 B ASN 43 2HD2
12 B GLN 47 1HE2
12 B GLN 47 2HE2
12 B ASN 59 1HD2
12 B ASN 59 2HD2
12 B GLN 66 1HE2
12 B GLN 66 2HE2
13 A ASN 9 1HD2
13 A ASN 9 2HD2
13 A GLN 17 1HE2
13 A GLN 17 2HE2
13 A ASN 39 1HD2
13 A ASN 39 2HD2
13 A ASN 43 1HD2
13 A ASN 43 2HD2
13 A GLN 47 1HE2
13 A GLN 47 2HE2
13 A ASN 59 1HD2
13 A ASN 59 2HD2
13 A GLN 66 1HE2
13 A GLN 66 2HE2
13 B ASN 9 1HD2
13 B ASN 9 2HD2
13 B GLN 17 1HE2
13 B GLN 17 2HE2
13 B ASN 39 1HD2
13 B ASN 39 2HD2
13 B ASN 43 1HD2
13 B ASN 43 2HD2
13 B GLN 47 1HE2
13 B GLN 47 2HE2
13 B ASN 59 1HD2
13 B ASN 59 2HD2
13 B GLN 66 1HE2
13 B GLN 66 2HE2
14 A ASN 9 1HD2
14 A ASN 9 2HD2
14 A GLN 17 1HE2
14 A GLN 17 2HE2
14 A ASN 39 1HD2
14 A ASN 39 2HD2
14 A ASN 43 1HD2
14 A ASN 43 2HD2
14 A GLN 47 1HE2
14 A GLN 47 2HE2
14 A ASN 59 1HD2
14 A ASN 59 2HD2
14 A GLN 66 1HE2
14 A GLN 66 2HE2
14 B ASN 9 1HD2
14 B ASN 9 2HD2
14 B GLN 17 1HE2
14 B GLN 17 2HE2
14 B ASN 39 1HD2
14 B ASN 39 2HD2
14 B ASN 43 1HD2
14 B ASN 43 2HD2
14 B GLN 47 1HE2
14 B GLN 47 2HE2
14 B ASN 59 1HD2
14 B ASN 59 2HD2
14 B GLN 66 1HE2
14 B GLN 66 2HE2
15 A ASN 9 1HD2
15 A ASN 9 2HD2
15 A GLN 17 1HE2
15 A GLN 17 2HE2
15 A ASN 39 1HD2
15 A ASN 39 2HD2
15 A ASN 43 1HD2
15 A ASN 43 2HD2
15 A GLN 47 1HE2
15 A GLN 47 2HE2
15 A ASN 59 1HD2
15 A ASN 59 2HD2
15 A GLN 66 1HE2
15 A GLN 66 2HE2
15 B ASN 9 1HD2
15 B ASN 9 2HD2
15 B GLN 17 1HE2
15 B GLN 17 2HE2
15 B ASN 39 1HD2
15 B ASN 39 2HD2
15 B ASN 43 1HD2
15 B ASN 43 2HD2
15 B GLN 47 1HE2
15 B GLN 47 2HE2
15 B ASN 59 1HD2
15 B ASN 59 2HD2
15 B GLN 66 1HE2
15 B GLN 66 2HE2
16 A ASN 9 1HD2
16 A ASN 9 2HD2
16 A GLN 17 1HE2
16 A GLN 17 2HE2
16 A ASN 39 1HD2
16 A ASN 39 2HD2
16 A ASN 43 1HD2
16 A ASN 43 2HD2
16 A GLN 47 1HE2
16 A GLN 47 2HE2
16 A ASN 59 1HD2
16 A ASN 59 2HD2
16 A GLN 66 1HE2
16 A GLN 66 2HE2
16 B ASN 9 1HD2
16 B ASN 9 2HD2
16 B GLN 17 1HE2
16 B GLN 17 2HE2
16 B ASN 39 1HD2
16 B ASN 39 2HD2
16 B ASN 43 1HD2
16 B ASN 43 2HD2
16 B GLN 47 1HE2
16 B GLN 47 2HE2
16 B ASN 59 1HD2
16 B ASN 59 2HD2
16 B GLN 66 1HE2
16 B GLN 66 2HE2
17 A ASN 9 1HD2
17 A ASN 9 2HD2
17 A GLN 17 1HE2
17 A GLN 17 2HE2
17 A ASN 39 1HD2
17 A ASN 39 2HD2
17 A ASN 43 1HD2
17 A ASN 43 2HD2
17 A GLN 47 1HE2
17 A GLN 47 2HE2
17 A ASN 59 1HD2
17 A ASN 59 2HD2
17 A GLN 66 1HE2
17 A GLN 66 2HE2
17 B ASN 9 1HD2
17 B ASN 9 2HD2
17 B GLN 17 1HE2
17 B GLN 17 2HE2
17 B ASN 39 1HD2
17 B ASN 39 2HD2
17 B ASN 43 1HD2
17 B ASN 43 2HD2
17 B GLN 47 1HE2
17 B GLN 47 2HE2
17 B ASN 59 1HD2
17 B ASN 59 2HD2
17 B GLN 66 1HE2
17 B GLN 66 2HE2
18 A ASN 9 1HD2
18 A ASN 9 2HD2
18 A GLN 17 1HE2
18 A GLN 17 2HE2
18 A ASN 39 1HD2
18 A ASN 39 2HD2
18 A ASN 43 1HD2
18 A ASN 43 2HD2
18 A GLN 47 1HE2
18 A GLN 47 2HE2
18 A ASN 59 1HD2
18 A ASN 59 2HD2
18 A GLN 66 1HE2
18 A GLN 66 2HE2
18 B ASN 9 1HD2
18 B ASN 9 2HD2
18 B GLN 17 1HE2
18 B GLN 17 2HE2
18 B ASN 39 1HD2
18 B ASN 39 2HD2
18 B ASN 43 1HD2
18 B ASN 43 2HD2
18 B GLN 47 1HE2
18 B GLN 47 2HE2
18 B ASN 59 1HD2
18 B ASN 59 2HD2
18 B GLN 66 1HE2
18 B GLN 66 2HE2
19 A ASN 9 1HD2
19 A ASN 9 2HD2
19 A GLN 17 1HE2
19 A GLN 17 2HE2
19 A ASN 39 1HD2
19 A ASN 39 2HD2
19 A ASN 43 1HD2
19 A ASN 43 2HD2
19 A GLN 47 1HE2
19 A GLN 47 2HE2
19 A ASN 59 1HD2
19 A ASN 59 2HD2
19 A GLN 66 1HE2
19 A GLN 66 2HE2
19 B ASN 9 1HD2
19 B ASN 9 2HD2
19 B GLN 17 1HE2
19 B GLN 17 2HE2
19 B ASN 39 1HD2
19 B ASN 39 2HD2
19 B ASN 43 1HD2
19 B ASN 43 2HD2
19 B GLN 47 1HE2
19 B GLN 47 2HE2
19 B ASN 59 1HD2
19 B ASN 59 2HD2
19 B GLN 66 1HE2
19 B GLN 66 2HE2
20 A ASN 9 1HD2
20 A ASN 9 2HD2
20 A GLN 17 1HE2
20 A GLN 17 2HE2
20 A ASN 39 1HD2
20 A ASN 39 2HD2
20 A ASN 43 1HD2
20 A ASN 43 2HD2
20 A GLN 47 1HE2
20 A GLN 47 2HE2
20 A ASN 59 1HD2
20 A ASN 59 2HD2
20 A GLN 66 1HE2
20 A GLN 66 2HE2
20 B ASN 9 1HD2
20 B ASN 9 2HD2
20 B GLN 17 1HE2
20 B GLN 17 2HE2
20 B ASN 39 1HD2
20 B ASN 39 2HD2
20 B ASN 43 1HD2
20 B ASN 43 2HD2
20 B GLN 47 1HE2
20 B GLN 47 2HE2
20 B ASN 59 1HD2
20 B ASN 59 2HD2
20 B GLN 66 1HE2
20 B GLN 66 2HE2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 10) HE2
GLU( 1 A 13) HE2
ASP( 1 A 18) HD2
ASP( 1 A 21) HD2
GLU( 1 A 26) HE2
GLU( 1 A 27) HE2
ASP( 1 A 31) HD2
GLU( 1 A 50) HE2
ASP( 1 A 58) HD2
GLU( 1 A 70) HE2
HIS( 1 A 71) HD1
HIS( 1 A 72) HE2
HIS( 1 A 73) HD1
HIS( 1 A 74) HE2
HIS( 1 A 75) HD1
HIS( 1 A 76) HD1
GLU( 1 B 10) HE2
GLU( 1 B 13) HE2
ASP( 1 B 18) HD2
ASP( 1 B 21) HD2
GLU( 1 B 26) HE2
GLU( 1 B 27) HE2
ASP( 1 B 31) HD2
GLU( 1 B 50) HE2
ASP( 1 B 58) HD2
GLU( 1 B 70) HE2
HIS( 1 B 71) HD1
HIS( 1 B 72) HE2
HIS( 1 B 73) HD1
HIS( 1 B 74) HE2
HIS( 1 B 75) HD1
HIS( 1 B 76) HD1
GLU( 2 A 10) HE2
GLU( 2 A 13) HE2
ASP( 2 A 18) HD2
ASP( 2 A 21) HD2
GLU( 2 A 26) HE2
GLU( 2 A 27) HE2
ASP( 2 A 31) HD2
GLU( 2 A 50) HE2
ASP( 2 A 58) HD2
GLU( 2 A 70) HE2
HIS( 2 A 71) HD1
HIS( 2 A 72) HD1
HIS( 2 A 73) HD1
HIS( 2 A 74) HE2
HIS( 2 A 75) HD1
HIS( 2 A 76) HD1
GLU( 2 B 10) HE2
GLU( 2 B 13) HE2
ASP( 2 B 18) HD2
ASP( 2 B 21) HD2
GLU( 2 B 26) HE2
GLU( 2 B 27) HE2
ASP( 2 B 31) HD2
GLU( 2 B 50) HE2
ASP( 2 B 58) HD2
GLU( 2 B 70) HE2
HIS( 2 B 71) HD1
HIS( 2 B 72) HD1
HIS( 2 B 73) HD1
HIS( 2 B 74) HE2
HIS( 2 B 75) HD1
HIS( 2 B 76) HD1
GLU( 3 A 10) HE2
GLU( 3 A 13) HE2
ASP( 3 A 18) HD2
ASP( 3 A 21) HD2
GLU( 3 A 26) HE2
GLU( 3 A 27) HE2
ASP( 3 A 31) HD2
GLU( 3 A 50) HE2
ASP( 3 A 58) HD2
GLU( 3 A 70) HE2
HIS( 3 A 71) HE2
HIS( 3 A 72) HD1
HIS( 3 A 73) HD1
HIS( 3 A 74) HE2
HIS( 3 A 75) HD1
HIS( 3 A 76) HD1
GLU( 3 B 10) HE2
GLU( 3 B 13) HE2
ASP( 3 B 18) HD2
ASP( 3 B 21) HD2
GLU( 3 B 26) HE2
GLU( 3 B 27) HE2
ASP( 3 B 31) HD2
GLU( 3 B 50) HE2
ASP( 3 B 58) HD2
GLU( 3 B 70) HE2
HIS( 3 B 71) HE2
HIS( 3 B 72) HD1
HIS( 3 B 73) HD1
HIS( 3 B 74) HE2
HIS( 3 B 75) HD1
HIS( 3 B 76) HD1
GLU( 4 A 10) HE2
GLU( 4 A 13) HE2
ASP( 4 A 18) HD2
ASP( 4 A 21) HD2
GLU( 4 A 26) HE2
GLU( 4 A 27) HE2
ASP( 4 A 31) HD2
GLU( 4 A 50) HE2
ASP( 4 A 58) HD2
GLU( 4 A 70) HE2
HIS( 4 A 71) HD1
HIS( 4 A 72) HE2
HIS( 4 A 73) HE2
HIS( 4 A 74) HD1
HIS( 4 A 75) HE2
HIS( 4 A 76) HE2
GLU( 4 B 10) HE2
GLU( 4 B 13) HE2
ASP( 4 B 18) HD2
ASP( 4 B 21) HD2
GLU( 4 B 26) HE2
GLU( 4 B 27) HE2
ASP( 4 B 31) HD2
GLU( 4 B 50) HE2
ASP( 4 B 58) HD2
GLU( 4 B 70) HE2
HIS( 4 B 71) HD1
HIS( 4 B 72) HE2
HIS( 4 B 73) HE2
HIS( 4 B 74) HD1
HIS( 4 B 75) HE2
HIS( 4 B 76) HE2
GLU( 5 A 10) HE2
GLU( 5 A 13) HE2
ASP( 5 A 18) HD2
ASP( 5 A 21) HD2
GLU( 5 A 26) HE2
GLU( 5 A 27) HE2
ASP( 5 A 31) HD2
GLU( 5 A 50) HE2
ASP( 5 A 58) HD2
GLU( 5 A 70) HE2
HIS( 5 A 71) HE2
HIS( 5 A 72) HE2
HIS( 5 A 73) HE2
HIS( 5 A 74) HD1
HIS( 5 A 75) HE2
HIS( 5 A 76) HE2
GLU( 5 B 10) HE2
GLU( 5 B 13) HE2
ASP( 5 B 18) HD2
ASP( 5 B 21) HD2
GLU( 5 B 26) HE2
GLU( 5 B 27) HE2
ASP( 5 B 31) HD2
GLU( 5 B 50) HE2
ASP( 5 B 58) HD2
GLU( 5 B 70) HE2
HIS( 5 B 71) HE2
HIS( 5 B 72) HE2
HIS( 5 B 73) HE2
HIS( 5 B 74) HD1
HIS( 5 B 75) HE2
HIS( 5 B 76) HE2
GLU( 6 A 10) HE2
GLU( 6 A 13) HE2
ASP( 6 A 18) HD2
ASP( 6 A 21) HD2
GLU( 6 A 26) HE2
GLU( 6 A 27) HE2
ASP( 6 A 31) HD2
GLU( 6 A 50) HE2
ASP( 6 A 58) HD2
GLU( 6 A 70) HE2
HIS( 6 A 71) HD1
HIS( 6 A 72) HD1
HIS( 6 A 73) HD1
HIS( 6 A 74) HD1
HIS( 6 A 75) HE2
HIS( 6 A 76) HD1
GLU( 6 B 10) HE2
GLU( 6 B 13) HE2
ASP( 6 B 18) HD2
ASP( 6 B 21) HD2
GLU( 6 B 26) HE2
GLU( 6 B 27) HE2
ASP( 6 B 31) HD2
GLU( 6 B 50) HE2
ASP( 6 B 58) HD2
GLU( 6 B 70) HE2
HIS( 6 B 71) HD1
HIS( 6 B 72) HD1
HIS( 6 B 73) HD1
HIS( 6 B 74) HD1
HIS( 6 B 75) HE2
HIS( 6 B 76) HD1
GLU( 7 A 10) HE2
GLU( 7 A 13) HE2
ASP( 7 A 18) HD2
ASP( 7 A 21) HD2
GLU( 7 A 26) HE2
GLU( 7 A 27) HE2
ASP( 7 A 31) HD2
GLU( 7 A 50) HE2
ASP( 7 A 58) HD2
GLU( 7 A 70) HE2
HIS( 7 A 71) HD1
HIS( 7 A 72) HE2
HIS( 7 A 73) HE2
HIS( 7 A 74) HE2
HIS( 7 A 75) HE2
HIS( 7 A 76) HD1
GLU( 7 B 10) HE2
GLU( 7 B 13) HE2
ASP( 7 B 18) HD2
ASP( 7 B 21) HD2
GLU( 7 B 26) HE2
GLU( 7 B 27) HE2
ASP( 7 B 31) HD2
GLU( 7 B 50) HE2
ASP( 7 B 58) HD2
GLU( 7 B 70) HE2
HIS( 7 B 71) HD1
HIS( 7 B 72) HE2
HIS( 7 B 73) HE2
HIS( 7 B 74) HE2
HIS( 7 B 75) HE2
HIS( 7 B 76) HD1
GLU( 8 A 10) HE2
GLU( 8 A 13) HE2
ASP( 8 A 18) HD2
ASP( 8 A 21) HD2
GLU( 8 A 26) HE2
GLU( 8 A 27) HE2
ASP( 8 A 31) HD2
GLU( 8 A 50) HE2
ASP( 8 A 58) HD2
GLU( 8 A 70) HE2
HIS( 8 A 71) HE2
HIS( 8 A 72) HD1
HIS( 8 A 73) HD1
HIS( 8 A 74) HE2
HIS( 8 A 75) HD1
HIS( 8 A 76) HE2
GLU( 8 B 10) HE2
GLU( 8 B 13) HE2
ASP( 8 B 18) HD2
ASP( 8 B 21) HD2
GLU( 8 B 26) HE2
GLU( 8 B 27) HE2
ASP( 8 B 31) HD2
GLU( 8 B 50) HE2
ASP( 8 B 58) HD2
GLU( 8 B 70) HE2
HIS( 8 B 71) HE2
HIS( 8 B 72) HD1
HIS( 8 B 73) HD1
HIS( 8 B 74) HE2
HIS( 8 B 75) HD1
HIS( 8 B 76) HE2
GLU( 9 A 10) HE2
GLU( 9 A 13) HE2
ASP( 9 A 18) HD2
ASP( 9 A 21) HD2
GLU( 9 A 26) HE2
GLU( 9 A 27) HE2
ASP( 9 A 31) HD2
GLU( 9 A 50) HE2
ASP( 9 A 58) HD2
GLU( 9 A 70) HE2
HIS( 9 A 71) HE2
HIS( 9 A 72) HE2
HIS( 9 A 73) HD1
HIS( 9 A 74) HE2
HIS( 9 A 75) HD1
HIS( 9 A 76) HD1
GLU( 9 B 10) HE2
GLU( 9 B 13) HE2
ASP( 9 B 18) HD2
ASP( 9 B 21) HD2
GLU( 9 B 26) HE2
GLU( 9 B 27) HE2
ASP( 9 B 31) HD2
GLU( 9 B 50) HE2
ASP( 9 B 58) HD2
GLU( 9 B 70) HE2
HIS( 9 B 71) HE2
HIS( 9 B 72) HE2
HIS( 9 B 73) HD1
HIS( 9 B 74) HE2
HIS( 9 B 75) HD1
HIS( 9 B 76) HD1
GLU( 10 A 10) HE2
GLU( 10 A 13) HE2
ASP( 10 A 18) HD2
ASP( 10 A 21) HD2
GLU( 10 A 26) HE2
GLU( 10 A 27) HE2
ASP( 10 A 31) HD2
GLU( 10 A 50) HE2
ASP( 10 A 58) HD2
GLU( 10 A 70) HE2
HIS( 10 A 71) HD1
HIS( 10 A 72) HD1
HIS( 10 A 73) HE2
HIS( 10 A 74) HE2
HIS( 10 A 75) HE2
HIS( 10 A 76) HD1
GLU( 10 B 10) HE2
GLU( 10 B 13) HE2
ASP( 10 B 18) HD2
ASP( 10 B 21) HD2
GLU( 10 B 26) HE2
GLU( 10 B 27) HE2
ASP( 10 B 31) HD2
GLU( 10 B 50) HE2
ASP( 10 B 58) HD2
GLU( 10 B 70) HE2
HIS( 10 B 71) HD1
HIS( 10 B 72) HD1
HIS( 10 B 73) HE2
HIS( 10 B 74) HE2
HIS( 10 B 75) HE2
HIS( 10 B 76) HD1
GLU( 11 A 10) HE2
GLU( 11 A 13) HE2
ASP( 11 A 18) HD2
ASP( 11 A 21) HD2
GLU( 11 A 26) HE2
GLU( 11 A 27) HE2
ASP( 11 A 31) HD2
GLU( 11 A 50) HE2
ASP( 11 A 58) HD2
GLU( 11 A 70) HE2
HIS( 11 A 71) HD1
HIS( 11 A 72) HD1
HIS( 11 A 73) HD1
HIS( 11 A 74) HE2
HIS( 11 A 75) HE2
HIS( 11 A 76) HD1
GLU( 11 B 10) HE2
GLU( 11 B 13) HE2
ASP( 11 B 18) HD2
ASP( 11 B 21) HD2
GLU( 11 B 26) HE2
GLU( 11 B 27) HE2
ASP( 11 B 31) HD2
GLU( 11 B 50) HE2
ASP( 11 B 58) HD2
GLU( 11 B 70) HE2
HIS( 11 B 71) HD1
HIS( 11 B 72) HD1
HIS( 11 B 73) HD1
HIS( 11 B 74) HE2
HIS( 11 B 75) HE2
HIS( 11 B 76) HD1
GLU( 12 A 10) HE2
GLU( 12 A 13) HE2
ASP( 12 A 18) HD2
ASP( 12 A 21) HD2
GLU( 12 A 26) HE2
GLU( 12 A 27) HE2
ASP( 12 A 31) HD2
GLU( 12 A 50) HE2
ASP( 12 A 58) HD2
GLU( 12 A 70) HE2
HIS( 12 A 71) HD1
HIS( 12 A 72) HE2
HIS( 12 A 73) HD1
HIS( 12 A 74) HD1
HIS( 12 A 75) HE2
HIS( 12 A 76) HE2
GLU( 12 B 10) HE2
GLU( 12 B 13) HE2
ASP( 12 B 18) HD2
ASP( 12 B 21) HD2
GLU( 12 B 26) HE2
GLU( 12 B 27) HE2
ASP( 12 B 31) HD2
GLU( 12 B 50) HE2
ASP( 12 B 58) HD2
GLU( 12 B 70) HE2
HIS( 12 B 71) HD1
HIS( 12 B 72) HE2
HIS( 12 B 73) HD1
HIS( 12 B 74) HD1
HIS( 12 B 75) HE2
HIS( 12 B 76) HE2
GLU( 13 A 10) HE2
GLU( 13 A 13) HE2
ASP( 13 A 18) HD2
ASP( 13 A 21) HD2
GLU( 13 A 26) HE2
GLU( 13 A 27) HE2
ASP( 13 A 31) HD2
GLU( 13 A 50) HE2
ASP( 13 A 58) HD2
GLU( 13 A 70) HE2
HIS( 13 A 71) HD1
HIS( 13 A 72) HD1
HIS( 13 A 73) HE2
HIS( 13 A 74) HD1
HIS( 13 A 75) HE2
HIS( 13 A 76) HE2
GLU( 13 B 10) HE2
GLU( 13 B 13) HE2
ASP( 13 B 18) HD2
ASP( 13 B 21) HD2
GLU( 13 B 26) HE2
GLU( 13 B 27) HE2
ASP( 13 B 31) HD2
GLU( 13 B 50) HE2
ASP( 13 B 58) HD2
GLU( 13 B 70) HE2
HIS( 13 B 71) HD1
HIS( 13 B 72) HD1
HIS( 13 B 73) HE2
HIS( 13 B 74) HD1
HIS( 13 B 75) HE2
HIS( 13 B 76) HE2
GLU( 14 A 10) HE2
GLU( 14 A 13) HE2
ASP( 14 A 18) HD2
ASP( 14 A 21) HD2
GLU( 14 A 26) HE2
GLU( 14 A 27) HE2
ASP( 14 A 31) HD2
GLU( 14 A 50) HE2
ASP( 14 A 58) HD2
GLU( 14 A 70) HE2
HIS( 14 A 71) HD1
HIS( 14 A 72) HE2
HIS( 14 A 73) HE2
HIS( 14 A 74) HE2
HIS( 14 A 75) HD1
HIS( 14 A 76) HD1
GLU( 14 B 10) HE2
GLU( 14 B 13) HE2
ASP( 14 B 18) HD2
ASP( 14 B 21) HD2
GLU( 14 B 26) HE2
GLU( 14 B 27) HE2
ASP( 14 B 31) HD2
GLU( 14 B 50) HE2
ASP( 14 B 58) HD2
GLU( 14 B 70) HE2
HIS( 14 B 71) HD1
HIS( 14 B 72) HE2
HIS( 14 B 73) HE2
HIS( 14 B 74) HE2
HIS( 14 B 75) HD1
HIS( 14 B 76) HD1
GLU( 15 A 10) HE2
GLU( 15 A 13) HE2
ASP( 15 A 18) HD2
ASP( 15 A 21) HD2
GLU( 15 A 26) HE2
GLU( 15 A 27) HE2
ASP( 15 A 31) HD2
GLU( 15 A 50) HE2
ASP( 15 A 58) HD2
GLU( 15 A 70) HE2
HIS( 15 A 71) HE2
HIS( 15 A 72) HE2
HIS( 15 A 73) HE2
HIS( 15 A 74) HD1
HIS( 15 A 75) HD1
HIS( 15 A 76) HE2
GLU( 15 B 10) HE2
GLU( 15 B 13) HE2
ASP( 15 B 18) HD2
ASP( 15 B 21) HD2
GLU( 15 B 26) HE2
GLU( 15 B 27) HE2
ASP( 15 B 31) HD2
GLU( 15 B 50) HE2
ASP( 15 B 58) HD2
GLU( 15 B 70) HE2
HIS( 15 B 71) HE2
HIS( 15 B 72) HE2
HIS( 15 B 73) HE2
HIS( 15 B 74) HD1
HIS( 15 B 75) HD1
HIS( 15 B 76) HE2
GLU( 16 A 10) HE2
GLU( 16 A 13) HE2
ASP( 16 A 18) HD2
ASP( 16 A 21) HD2
GLU( 16 A 26) HE2
GLU( 16 A 27) HE2
ASP( 16 A 31) HD2
GLU( 16 A 50) HE2
ASP( 16 A 58) HD2
GLU( 16 A 70) HE2
HIS( 16 A 71) HE2
HIS( 16 A 72) HE2
HIS( 16 A 73) HD1
HIS( 16 A 74) HD1
HIS( 16 A 75) HE2
HIS( 16 A 76) HD1
GLU( 16 B 10) HE2
GLU( 16 B 13) HE2
ASP( 16 B 18) HD2
ASP( 16 B 21) HD2
GLU( 16 B 26) HE2
GLU( 16 B 27) HE2
ASP( 16 B 31) HD2
GLU( 16 B 50) HE2
ASP( 16 B 58) HD2
GLU( 16 B 70) HE2
HIS( 16 B 71) HE2
HIS( 16 B 72) HE2
HIS( 16 B 73) HD1
HIS( 16 B 74) HD1
HIS( 16 B 75) HE2
HIS( 16 B 76) HD1
GLU( 17 A 10) HE2
GLU( 17 A 13) HE2
ASP( 17 A 18) HD2
ASP( 17 A 21) HD2
GLU( 17 A 26) HE2
GLU( 17 A 27) HE2
ASP( 17 A 31) HD2
GLU( 17 A 50) HE2
ASP( 17 A 58) HD2
GLU( 17 A 70) HE2
HIS( 17 A 71) HD1
HIS( 17 A 72) HD1
HIS( 17 A 73) HD1
HIS( 17 A 74) HD1
HIS( 17 A 75) HD1
HIS( 17 A 76) HD1
GLU( 17 B 10) HE2
GLU( 17 B 13) HE2
ASP( 17 B 18) HD2
ASP( 17 B 21) HD2
GLU( 17 B 26) HE2
GLU( 17 B 27) HE2
ASP( 17 B 31) HD2
GLU( 17 B 50) HE2
ASP( 17 B 58) HD2
GLU( 17 B 70) HE2
HIS( 17 B 71) HD1
HIS( 17 B 72) HD1
HIS( 17 B 73) HD1
HIS( 17 B 74) HD1
HIS( 17 B 75) HD1
HIS( 17 B 76) HD1
GLU( 18 A 10) HE2
GLU( 18 A 13) HE2
ASP( 18 A 18) HD2
ASP( 18 A 21) HD2
GLU( 18 A 26) HE2
GLU( 18 A 27) HE2
ASP( 18 A 31) HD2
GLU( 18 A 50) HE2
ASP( 18 A 58) HD2
GLU( 18 A 70) HE2
HIS( 18 A 71) HE2
HIS( 18 A 72) HD1
HIS( 18 A 73) HD1
HIS( 18 A 74) HE2
HIS( 18 A 75) HE2
HIS( 18 A 76) HD1
GLU( 18 B 10) HE2
GLU( 18 B 13) HE2
ASP( 18 B 18) HD2
ASP( 18 B 21) HD2
GLU( 18 B 26) HE2
GLU( 18 B 27) HE2
ASP( 18 B 31) HD2
GLU( 18 B 50) HE2
ASP( 18 B 58) HD2
GLU( 18 B 70) HE2
HIS( 18 B 71) HE2
HIS( 18 B 72) HD1
HIS( 18 B 73) HD1
HIS( 18 B 74) HE2
HIS( 18 B 75) HE2
HIS( 18 B 76) HD1
GLU( 19 A 10) HE2
GLU( 19 A 13) HE2
ASP( 19 A 18) HD2
ASP( 19 A 21) HD2
GLU( 19 A 26) HE2
GLU( 19 A 27) HE2
ASP( 19 A 31) HD2
GLU( 19 A 50) HE2
ASP( 19 A 58) HD2
GLU( 19 A 70) HE2
HIS( 19 A 71) HE2
HIS( 19 A 72) HE2
HIS( 19 A 73) HD1
HIS( 19 A 74) HE2
HIS( 19 A 75) HE2
HIS( 19 A 76) HE2
GLU( 19 B 10) HE2
GLU( 19 B 13) HE2
ASP( 19 B 18) HD2
ASP( 19 B 21) HD2
GLU( 19 B 26) HE2
GLU( 19 B 27) HE2
ASP( 19 B 31) HD2
GLU( 19 B 50) HE2
ASP( 19 B 58) HD2
GLU( 19 B 70) HE2
HIS( 19 B 71) HE2
HIS( 19 B 72) HE2
HIS( 19 B 73) HD1
HIS( 19 B 74) HE2
HIS( 19 B 75) HE2
HIS( 19 B 76) HE2
GLU( 20 A 10) HE2
GLU( 20 A 13) HE2
ASP( 20 A 18) HD2
ASP( 20 A 21) HD2
GLU( 20 A 26) HE2
GLU( 20 A 27) HE2
ASP( 20 A 31) HD2
GLU( 20 A 50) HE2
ASP( 20 A 58) HD2
GLU( 20 A 70) HE2
HIS( 20 A 71) HE2
HIS( 20 A 72) HE2
HIS( 20 A 73) HD1
HIS( 20 A 74) HE2
HIS( 20 A 75) HD1
HIS( 20 A 76) HD1
GLU( 20 B 10) HE2
GLU( 20 B 13) HE2
ASP( 20 B 18) HD2
ASP( 20 B 21) HD2
GLU( 20 B 26) HE2
GLU( 20 B 27) HE2
ASP( 20 B 31) HD2
GLU( 20 B 50) HE2
ASP( 20 B 58) HD2
GLU( 20 B 70) HE2
HIS( 20 B 71) HE2
HIS( 20 B 72) HE2
HIS( 20 B 73) HD1
HIS( 20 B 74) HE2
HIS( 20 B 75) HD1
HIS( 20 B 76) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 76) O2
HIS( 1 B 76) O2
HIS( 2 A 76) O2
HIS( 2 B 76) O2
HIS( 3 A 76) O2
HIS( 3 B 76) O2
HIS( 4 A 76) O2
HIS( 4 B 76) O2
HIS( 5 A 76) O2
HIS( 5 B 76) O2
HIS( 6 A 76) O2
HIS( 6 B 76) O2
HIS( 7 A 76) O2
HIS( 7 B 76) O2
HIS( 8 A 76) O2
HIS( 8 B 76) O2
HIS( 9 A 76) O2
HIS( 9 B 76) O2
HIS( 10 A 76) O2
HIS( 10 B 76) O2
HIS( 11 A 76) O2
HIS( 11 B 76) O2
HIS( 12 A 76) O2
HIS( 12 B 76) O2
HIS( 13 A 76) O2
HIS( 13 B 76) O2
HIS( 14 A 76) O2
HIS( 14 B 76) O2
HIS( 15 A 76) O2
HIS( 15 B 76) O2
HIS( 16 A 76) O2
HIS( 16 B 76) O2
HIS( 17 A 76) O2
HIS( 17 B 76) O2
HIS( 18 A 76) O2
HIS( 18 B 76) O2
HIS( 19 A 76) O2
HIS( 19 B 76) O2
HIS( 20 A 76) O2
HIS( 20 B 76) O2
CSR4_R3_em_bcr3.pdb: Missing KEYWDS records
CSR4_R3_em_bcr3.pdb: Missing TITLE record